1H-Benzotriazol-1-yl 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H24N4O4
Molecular Weight	468.5039
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1H-Benzotriazol-1-yl 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoate

Structure Search

SMILES

CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)ON4N=NC5=C4C=CC=C5

InChI

InChIKey=OVGDHNCIEZTWJS-UHFFFAOYSA-N

InChI=1S/C27H24N4O4/c1-2-3-6-17-33-22-15-13-20(14-16-22)26-18-24(29-34-26)19-9-11-21(12-10-19)27(32)35-31-25-8-5-4-7-23(25)28-30-31/h4-5,7-16,18H,2-3,6,17H2,1H3

HIDE SMILES / InChI

Molecular Formula	C27H24N4O4
Molecular Weight	468.5039
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:52:32 GMT 2025` Edited by `admin` on `Wed Apr 02 20:52:32 GMT 2025`
Record UNII	XD6V4N3XCE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-Benzotriazol-1-yl 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoate

Systematic Name

English

1-[[4-[5-(4-Pentyloxyphenyl)isoxazol-3-yl]benzoyl]oxy]-1H-1,2,3-benzotriazole

Preferred Name

English

Benzoic acid, 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]-, 1H-benzotriazol-1-yl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

10528273

Created by admin on Wed Apr 02 20:52:32 GMT 2025 , Edited by admin on Wed Apr 02 20:52:32 GMT 2025

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CAS

235112-66-0

Created by admin on Wed Apr 02 20:52:32 GMT 2025 , Edited by admin on Wed Apr 02 20:52:32 GMT 2025

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FDA UNII

XD6V4N3XCE

Created by admin on Wed Apr 02 20:52:32 GMT 2025 , Edited by admin on Wed Apr 02 20:52:32 GMT 2025

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