[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-chlorophenyl)carbonylamino]benzoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-chlorophenyl)carbonylamino]benzoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]benzoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]benzoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate Traditional Name: 2-[(4-chlorobenzoyl)amino]benzoic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-13(2)12-23-19(25)14(3)28-21(27)17-6-4-5-7-18(17)24-20(26)15-8-10-16(22)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,23,25)(H,24,26)/t14-/m0/s1