(2-azanyl-2-oxidanylidene-ethyl) 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4,5-dimethoxy-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4,5-dimethoxy-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 3-[(1,3-dioxoisoindolin-2-yl)methyl]-4,5-dimethoxy-benzoate CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methyl]-4,5-dimethoxybenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxybenzoate Traditional Name: 3,4-dimethoxy-5-(phthalimidomethyl)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC(=O)N

InChI

InChI=1S/C20H18N2O7/c1-27-15-8-11(20(26)29-10-16(21)23)7-12(17(15)28-2)9-22-18(24)13-5-3-4-6-14(13)19(22)25/h3-8H,9-10H2,1-2H3,(H2,21,23)