methyl 3-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamoylamino]benzoate

Systemtic Name: methyl 3-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamoylamino]benzoate Openeye Name: methyl 3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzoate CAS Name: 3-[[oxo-[3-(2-oxo-1-pyrrolidinyl)propylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzoate Traditional Name: 3-[3-(2-ketopyrrolidino)propylcarbamoylamino]benzoic acid methyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NCCCN2CCCC2=O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NCCCN2CCCC2=O

InChI

InChI=1S/C16H21N3O4/c1-23-15(21)12-5-2-6-13(11-12)18-16(22)17-8-4-10-19-9-3-7-14(19)20/h2,5-6,11H,3-4,7-10H2,1H3,(H2,17,18,22)