N-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxo-2-naphthalenecarboxamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C42H55N3O4
Molecular Weight	665.9038
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxo-2-naphthalenecarboxamide

Structure Search

SMILES

CCN(CCO)C1=CC(C)=C(C=C1)N=C2C=C(C(=O)NCCCCOC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)C(=O)C4=CC=CC=C24

InChI

InChIKey=XGGOANIEEUCIAR-LWIPBWEKSA-N

InChI=1S/C42H55N3O4/c1-9-41(5,6)30-18-21-38(35(27-30)42(7,8)10-2)49-25-15-14-22-43-40(48)34-28-37(32-16-12-13-17-33(32)39(34)47)44-36-20-19-31(26-29(36)4)45(11-3)23-24-46/h12-13,16-21,26-28,46H,9-11,14-15,22-25H2,1-8H3,(H,43,48)/b44-37-

HIDE SMILES / InChI

Molecular Formula	C42H55N3O4
Molecular Weight	665.9038
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:18:17 GMT 2023` Edited by `admin` on `Sat Dec 16 12:18:17 GMT 2023`
Record UNII	LX2WWK92V2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxo-2-naphthalenecarboxamide

Systematic Name

English

2-NAPHTHALENECARBOXAMIDE, N-(4-(2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY)BUTYL)-4-((4-(ETHYL(2-HYDROXYETHYL)AMINO)-2-METHYLPHENYL)IMINO)-1,4-DIHYDRO-1-OXO-

Systematic Name

English

Code System Code Type Description

FDA UNII

LX2WWK92V2