[2-(1,3-benzodioxol-5-ylmethyl)-3-cyclopropyl-5-ethenyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] furan-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-cyclopropyl-5-ethenyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] furan-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-cyclopropyl-7-methyl-6,8-dioxo-5-vinyl-7-isoquinolyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-(1,3-benzodioxol-5-ylmethyl)-3-cyclopropyl-5-ethenyl-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-cyclopropyl-5-ethenyl-7-methyl-6,8-dioxoisoquinolin-7-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid (3-cyclopropyl-6,8-diketo-7-methyl-2-piperonyl-5-vinyl-7-isoquinolyl) ester Formula: C28H23NO7 MolecularWeight: 485.48472

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)C=C)C3CC3)CC4=CC5=C(C=C4)OCO5)OC(=O)C6=CC=CO6

Isomeric SMILES

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)C=C)C3CC3)CC4=CC5=C(C=C4)OCO5)OC(=O)C6=CC=CO6

InChI

InChI=1S/C28H23NO7/c1-3-18-19-12-21(17-7-8-17)29(13-16-6-9-22-24(11-16)35-15-34-22)14-20(19)26(31)28(2,25(18)30)36-27(32)23-5-4-10-33-23/h3-6,9-12,14,17H,1,7-8,13,15H2,2H3