4-[4-[(3-methylphenyl)amino]-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid

Systemtic Name: 4-[4-[(3-methylphenyl)amino]-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Openeye Name: 4-[4-(3-methylanilino)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butanoic acid CAS Name: 4-[4-(3-methylanilino)-2-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]phenyl]butanoic acid IUPAC Name: 4-[4-(3-methylanilino)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Traditional Name: 4-[4-(m-toluidino)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butyric acid Formula: C30H30N2O3 MolecularWeight: 466.5708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=CC(=C(C=C2)CCCC(=O)O)C(=O)NC(C)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)NC2=CC(=C(C=C2)CCCC(=O)O)C(=O)NC(C)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H30N2O3/c1-20-8-5-12-24(18-20)32-25-17-16-23(11-7-15-29(33)34)28(19-25)30(35)31-21(2)26-14-6-10-22-9-3-4-13-27(22)26/h3-6,8-10,12-14,16-19,21,32H,7,11,15H2,1-2H3,(H,31,35)(H,33,34)