methyl 4-[[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(1-methylene-3-oxo-isoindolin-2-yl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(1-methylene-3-oxo-2-isoindolyl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(1-keto-3-methylene-isoindolin-2-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O4/c1-14-17-5-3-4-6-18(17)20(25)23(14)12-11-19(24)22-13-15-7-9-16(10-8-15)21(26)27-2/h3-10H,1,11-13H2,2H3,(H,22,24)