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

Systemtic Name: 4-[4-[(3-cyanophenyl)amino]-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Openeye Name: 4-[4-(3-cyanoanilino)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butanoic acid CAS Name: 4-[4-(3-cyanoanilino)-2-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]phenyl]butanoic acid IUPAC Name: 4-[4-(3-cyanoanilino)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Traditional Name: 4-[4-(3-cyanoanilino)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butyric acid Formula: C30H27N3O3 MolecularWeight: 477.55368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)NC4=CC=CC(=C4)C#N)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)NC4=CC=CC(=C4)C#N)CCCC(=O)O

InChI

InChI=1S/C30H27N3O3/c1-20(26-13-5-9-22-8-2-3-12-27(22)26)32-30(36)28-18-25(16-15-23(28)10-6-14-29(34)35)33-24-11-4-7-21(17-24)19-31/h2-5,7-9,11-13,15-18,20,33H,6,10,14H2,1H3,(H,32,36)(H,34,35)