(3-cyanophenyl)methyl (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3-cyanophenyl)methyl (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3-cyanophenyl)methyl (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butyric acid (3-cyanobenzyl) ester Formula: C20H18Cl2N2O3 MolecularWeight: 405.27452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O3/c1-12(2)18(24-19(25)16-7-6-15(21)9-17(16)22)20(26)27-11-14-5-3-4-13(8-14)10-23/h3-9,12,18H,11H2,1-2H3,(H,24,25)/t18-/m0/s1