methyl 4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamoylamino]benzoate

Systemtic Name: methyl 4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamoylamino]benzoate Openeye Name: methyl 4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzoate CAS Name: 4-[[oxo-[3-(2-oxo-1-pyrrolidinyl)propylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzoate Traditional Name: 4-[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=C(C=C1)NC(=O)NCCCN2CCCC2=O

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-23-15(21)12-5-7-13(8-6-12)18-16(22)17-9-3-11-19-10-2-4-14(19)20/h5-8H,2-4,9-11H2,1H3,(H2,17,18,22)