2-methylpropyl 4-[[(3S)-1-(2-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[[(3S)-1-(2-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: isobutyl 4-[[(3S)-1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(2-chlorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(2-chlorophenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid isobutyl ester Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H23ClN2O4/c1-14(2)13-29-22(28)15-7-9-17(10-8-15)24-21(27)16-11-20(26)25(12-16)19-6-4-3-5-18(19)23/h3-10,14,16H,11-13H2,1-2H3,(H,24,27)/t16-/m0/s1