7-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxypropoxy]-3-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: 7-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxypropoxy]-3-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 7-[3-(1,3-dioxoisoindolin-2-yl)oxypropoxy]-3-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[3-[(1,3-dioxo-2-isoindolyl)oxy]propoxy]-3-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate IUPAC Name: 7-[3-(1,3-dioxoisoindol-2-yl)oxypropoxy]-3-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-carbomethoxy-7-(3-phthalimidooxypropoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Formula: C23H21N2O8- MolecularWeight: 453.42144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)[O-])C=C(C=C2)OCCCON3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1CC2=C(CN1C(=O)[O-])C=C(C=C2)OCCCON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H22N2O8/c1-31-22(28)19-12-14-7-8-16(11-15(14)13-24(19)23(29)30)32-9-4-10-33-25-20(26)17-5-2-3-6-18(17)21(25)27/h2-3,5-8,11,19H,4,9-10,12-13H2,1H3,(H,29,30)/p-1