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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

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