methyl 4-[[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[[4-chloro-3-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[4-chloro-3-(2-ketopyrrolidino)benzoyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

InChI

InChI=1S/C21H21ClN2O4/c1-23(13-14-5-7-15(8-6-14)21(27)28-2)20(26)16-9-10-17(22)18(12-16)24-11-3-4-19(24)25/h5-10,12H,3-4,11,13H2,1-2H3