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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OCC1=CC=CC(=C1)C#N)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-3-14(2)19(24-20(25)17-7-9-18(22)10-8-17)21(26)27-13-16-6-4-5-15(11-16)12-23/h4-11,14,19H,3,13H2,1-2H3,(H,24,25)/t14-,19-/m0/s1