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

Systemtic Name: methyl 4-[[[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]methyl]benzoate CAS Name: 4-[[[oxo-[3-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]methyl]benzoate Traditional Name: 4-[[[3-[(2-ketopyrrolidino)methyl]benzoyl]amino]methyl]benzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)CN3CCCC3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)CN3CCCC3=O

InChI

InChI=1S/C21H22N2O4/c1-27-21(26)17-9-7-15(8-10-17)13-22-20(25)18-5-2-4-16(12-18)14-23-11-3-6-19(23)24/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,25)