[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-methoxy-benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-methoxy-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate Traditional Name: 2-methoxy-5-(phthalimidomethyl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C28H24N2O6 MolecularWeight: 484.49996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H24N2O6/c1-35-24-11-10-18(15-30-26(32)21-8-4-5-9-22(21)27(30)33)14-23(24)28(34)36-17-25(31)29-13-12-19-6-2-3-7-20(19)16-29/h2-11,14H,12-13,15-17H2,1H3