4-[4-cyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenyl]butanoic acid

Systemtic Name: 4-[4-cyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenyl]butanoic acid Openeye Name: 4-[4-cyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenyl]butanoic acid CAS Name: 4-[4-cyano-2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-cyano-2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]phenyl]butanoic acid Traditional Name: 4-[4-cyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenyl]butyric acid Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O

InChI

InChI=1S/C27H28N2O3/c1-18(2)15-24(23-11-5-8-20-7-3-4-10-22(20)23)27(32)29-25-16-19(17-28)13-14-21(25)9-6-12-26(30)31/h3-5,7-8,10-11,13-14,16,18,24H,6,9,12,15H2,1-2H3,(H,29,32)(H,30,31)