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

Systemtic Name: [3-cyclopropyl-5-ethenyl-7-methyl-6,8-bis(oxidanylidene)-2-(3-propan-2-yloxypropyl)isoquinolin-7-yl] furan-2-carboxylate Openeye Name: [3-cyclopropyl-2-(3-isopropoxypropyl)-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-(3-propan-2-yloxypropyl)-7-isoquinolinyl] ester IUPAC Name: [3-cyclopropyl-5-ethenyl-7-methyl-6,8-dioxo-2-(3-propan-2-yloxypropyl)isoquinolin-7-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [3-cyclopropyl-2-(3-isopropoxypropyl)-6,8-diketo-7-methyl-5-vinyl-7-isoquinolyl] ester Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C=C2C(=C(C(=O)C(C2=O)(C)OC(=O)C3=CC=CO3)C=C)C=C1C4CC4

Isomeric SMILES

CC(C)OCCCN1C=C2C(=C(C(=O)C(C2=O)(C)OC(=O)C3=CC=CO3)C=C)C=C1C4CC4

InChI

InChI=1S/C26H29NO6/c1-5-18-19-14-21(17-9-10-17)27(11-7-13-31-16(2)3)15-20(19)24(29)26(4,23(18)28)33-25(30)22-8-6-12-32-22/h5-6,8,12,14-17H,1,7,9-11,13H2,2-4H3