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

Systemtic Name: [3-butyl-5-(furan-2-yl)-7-methyl-2-(2-methylpropyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [3-butyl-5-(2-furyl)-2-isobutyl-7-methyl-6,8-dioxo-7-isoquinolyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-butyl-5-(2-furanyl)-7-methyl-2-(2-methylpropyl)-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-5-(furan-2-yl)-7-methyl-2-(2-methylpropyl)-6,8-dioxoisoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-butyl-5-(2-furyl)-2-isobutyl-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C30H33NO6 MolecularWeight: 503.58612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CC(C)C)(C)OC(=O)C3=CC=C(C=C3)OC)C4=CC=CO4

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CC(C)C)(C)OC(=O)C3=CC=C(C=C3)OC)C4=CC=CO4

InChI

InChI=1S/C30H33NO6/c1-6-7-9-21-16-23-24(18-31(21)17-19(2)3)27(32)30(4,28(33)26(23)25-10-8-15-36-25)37-29(34)20-11-13-22(35-5)14-12-20/h8,10-16,18-19H,6-7,9,17H2,1-5H3