[3-butyl-2-cyclopropyl-5-(furan-2-yl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 4-methoxybenzoate

Systemtic Name: [3-butyl-2-cyclopropyl-5-(furan-2-yl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [3-butyl-2-cyclopropyl-5-(2-furyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-butyl-2-cyclopropyl-5-(2-furanyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-2-cyclopropyl-5-(furan-2-yl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-butyl-2-cyclopropyl-5-(2-furyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C29H29NO6 MolecularWeight: 487.54366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C3CC3)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C3CC3)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

InChI

InChI=1S/C29H29NO6/c1-4-5-7-20-16-22-23(17-30(20)19-11-12-19)26(31)29(2,27(32)25(22)24-8-6-15-35-24)36-28(33)18-9-13-21(34-3)14-10-18/h6,8-10,13-17,19H,4-5,7,11-12H2,1-3H3