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

Systemtic Name: methyl 4-chloranyl-3-[(5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(5-oxo-1-phenethyl-pyrrolidine-3-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[oxo-(5-oxo-1-phenethyl-3-pyrrolidinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(5-oxo-1-phenethylpyrrolidine-3-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(5-keto-1-phenethyl-pyrrolidine-3-carbonyl)amino]benzoic acid methyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O4/c1-28-21(27)15-7-8-17(22)18(11-15)23-20(26)16-12-19(25)24(13-16)10-9-14-5-3-2-4-6-14/h2-8,11,16H,9-10,12-13H2,1H3,(H,23,26)