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

Systemtic Name: [3-cyclopropyl-5-ethenyl-7-methyl-6,8-bis(oxidanylidene)-2-prop-2-enyl-isoquinolin-7-yl] furan-2-carboxylate Openeye Name: (2-allyl-3-cyclopropyl-7-methyl-6,8-dioxo-5-vinyl-7-isoquinolyl) furan-2-carboxylate CAS Name: 2-furancarboxylic acid (3-cyclopropyl-5-ethenyl-7-methyl-6,8-dioxo-2-prop-2-enyl-7-isoquinolinyl) ester IUPAC Name: (3-cyclopropyl-5-ethenyl-7-methyl-6,8-dioxo-2-prop-2-enylisoquinolin-7-yl) furan-2-carboxylate Traditional Name: furan-2-carboxylic acid (2-allyl-3-cyclopropyl-6,8-diketo-7-methyl-5-vinyl-7-isoquinolyl) ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)C=C)C3CC3)CC=C)OC(=O)C4=CC=CO4

Isomeric SMILES

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)C=C)C3CC3)CC=C)OC(=O)C4=CC=CO4

InChI

InChI=1S/C23H21NO5/c1-4-10-24-13-17-16(12-18(24)14-8-9-14)15(5-2)20(25)23(3,21(17)26)29-22(27)19-7-6-11-28-19/h4-7,11-14H,1-2,8-10H2,3H3