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

Systemtic Name: methyl 4-[[(5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(5-oxo-1-phenethyl-pyrrolidine-3-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[oxo-(5-oxo-1-phenethyl-3-pyrrolidinyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5-oxo-1-phenethylpyrrolidine-3-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(5-keto-1-phenethyl-pyrrolidine-3-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-28-22(27)18-9-7-17(8-10-18)14-23-21(26)19-13-20(25)24(15-19)12-11-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,26)