propan-2-yl 4-[[(3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[[(3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: isopropyl 4-[[(3S)-1-(3-chloro-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(3-chloro-2-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(3S)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(3-chloro-2-methyl-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid isopropyl ester Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C[C@H](CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C22H23ClN2O4/c1-13(2)29-22(28)15-7-9-17(10-8-15)24-21(27)16-11-20(26)25(12-16)19-6-4-5-18(23)14(19)3/h4-10,13,16H,11-12H2,1-3H3,(H,24,27)/t16-/m0/s1