4-(4-(3-(BUTYLAMINO)-2-HYDROXYPROPOXY)PHENYL)-7-METHOXY-3-PHENYLCOUMARIN

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H31NO5
Molecular Weight	473.5601
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(4-(3-(BUTYLAMINO)-2-HYDROXYPROPOXY)PHENYL)-7-METHOXY-3-PHENYLCOUMARIN

Structure Search

SMILES

CCCCNCC(O)COC1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(OC)=C3)C4=CC=CC=C4

InChI

InChIKey=LUOIYABVQOJGON-UHFFFAOYSA-N

InChI=1S/C29H31NO5/c1-3-4-16-30-18-22(31)19-34-23-12-10-21(11-13-23)27-25-15-14-24(33-2)17-26(25)35-29(32)28(27)20-8-6-5-7-9-20/h5-15,17,22,30-31H,3-4,16,18-19H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C29H31NO5
Molecular Weight	473.5601
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:32:37 GMT 2023` Edited by `admin` on `Sat Dec 16 08:32:37 GMT 2023`
Record UNII	NZL2UVQ1H6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(4-(3-(BUTYLAMINO)-2-HYDROXYPROPOXY)PHENYL)-7-METHOXY-3-PHENYLCOUMARIN

Systematic Name

English

4-(4-(3-(BUTYLAMINO)-2-HYDROXYPROPOXY)PHENYL)-7-METHOXY-3-PHENYL COUMARIN

Systematic Name

English

2H-1-BENZOPYRAN-2-ONE, 4-(4-(3-(BUTYLAMINO)-2-HYDROXYPROPOXY)PHENYL)-7-METHOXY-3-PHENYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10911315

Created by admin on Sat Dec 16 08:32:37 GMT 2023 , Edited by admin on Sat Dec 16 08:32:37 GMT 2023

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CAS

109736-10-9

Created by admin on Sat Dec 16 08:32:37 GMT 2023 , Edited by admin on Sat Dec 16 08:32:37 GMT 2023

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PUBCHEM

3066198

Created by admin on Sat Dec 16 08:32:37 GMT 2023 , Edited by admin on Sat Dec 16 08:32:37 GMT 2023

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FDA UNII

NZL2UVQ1H6

Created by admin on Sat Dec 16 08:32:37 GMT 2023 , Edited by admin on Sat Dec 16 08:32:37 GMT 2023

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