2-[[4-cyano-2-[(4-methyl-2-phenyl-pentanoyl)amino]phenyl]methyl]benzoic acid

Systemtic Name: 2-[[4-cyano-2-[(4-methyl-2-phenyl-pentanoyl)amino]phenyl]methyl]benzoic acid Openeye Name: 2-[[4-cyano-2-[(4-methyl-2-phenyl-pentanoyl)amino]phenyl]methyl]benzoic acid CAS Name: 2-[[4-cyano-2-[(4-methyl-1-oxo-2-phenylpentyl)amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[4-cyano-2-[(4-methyl-2-phenylpentanoyl)amino]phenyl]methyl]benzoic acid Traditional Name: 2-[4-cyano-2-[(4-methyl-2-phenyl-pentanoyl)amino]benzyl]benzoic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C#N)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C#N)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H26N2O3/c1-18(2)14-24(20-8-4-3-5-9-20)26(30)29-25-15-19(17-28)12-13-22(25)16-21-10-6-7-11-23(21)27(31)32/h3-13,15,18,24H,14,16H2,1-2H3,(H,29,30)(H,31,32)