[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-methoxy-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-methoxy-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-methoxy-benzoate CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-methoxybenzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate Traditional Name: 2-methoxy-5-(phthalimidomethyl)benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC(=O)NC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC(=O)NC4CC4

InChI

InChI=1S/C22H20N2O6/c1-29-18-9-6-13(10-17(18)22(28)30-12-19(25)23-14-7-8-14)11-24-20(26)15-4-2-3-5-16(15)21(24)27/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,23,25)