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

Systemtic Name: ethyl 4-[[(3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(3S)-1-[(2-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-[(2-chlorophenyl)methyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(2-chlorobenzyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid ethyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O4/c1-2-28-21(27)14-7-9-17(10-8-14)23-20(26)16-11-19(25)24(13-16)12-15-5-3-4-6-18(15)22/h3-10,16H,2,11-13H2,1H3,(H,23,26)/t16-/m0/s1