[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC1=CC=CC=C1Cl)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCC1=CC=CC=C1Cl)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23ClN2O4/c1-14(2)19(24-20(26)15-8-4-3-5-9-15)21(27)28-13-18(25)23-12-16-10-6-7-11-17(16)22/h3-11,14,19H,12-13H2,1-2H3,(H,23,25)(H,24,26)/t19-/m0/s1