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

Systemtic Name: [3-butyl-2-cyclopentyl-5-(furan-2-yl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [3-butyl-2-cyclopentyl-5-(2-furyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-butyl-2-cyclopentyl-5-(2-furanyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-2-cyclopentyl-5-(furan-2-yl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-butyl-2-cyclopentyl-5-(2-furyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C31H33NO6 MolecularWeight: 515.59682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C3CCCC3)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C3CCCC3)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

InChI

InChI=1S/C31H33NO6/c1-4-5-9-22-18-24-25(19-32(22)21-10-6-7-11-21)28(33)31(2,29(34)27(24)26-12-8-17-37-26)38-30(35)20-13-15-23(36-3)16-14-20/h8,12-19,21H,4-7,9-11H2,1-3H3