butyl 4-[[(3R)-1-(4-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O4/c1-2-3-12-29-22(28)15-4-8-18(9-5-15)24-21(27)16-13-20(26)25(14-16)19-10-6-17(23)7-11-19/h4-11,16H,2-3,12-14H2,1H3,(H,24,27)/t16-/m1/s1