(3-cyanophenyl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: (3-cyanophenyl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: (3-cyanophenyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid (3-cyanobenzyl) ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC(=C1)C#N)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=CC(=C1)C#N)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-14(2)10-19(24-20(25)17-6-8-18(22)9-7-17)21(26)27-13-16-5-3-4-15(11-16)12-23/h3-9,11,14,19H,10,13H2,1-2H3,(H,24,25)