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

Systemtic Name: methyl 2-[[4-cyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenyl]methyl]benzoate Openeye Name: methyl 2-[[4-cyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenyl]methyl]benzoate CAS Name: 2-[[4-cyano-2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]phenyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-cyano-2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]phenyl]methyl]benzoate Traditional Name: 2-[4-cyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]benzyl]benzoic acid methyl ester Formula: C32H30N2O3 MolecularWeight: 490.5922

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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)CC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C32H30N2O3/c1-21(2)17-29(28-14-8-11-23-9-4-6-12-26(23)28)31(35)34-30-18-22(20-33)15-16-25(30)19-24-10-5-7-13-27(24)32(36)37-3/h4-16,18,21,29H,17,19H2,1-3H3,(H,34,35)