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

Systemtic Name: [3-butyl-5-(furan-2-yl)-7-methyl-2-(4-oxidanylbutyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [3-butyl-5-(2-furyl)-2-(4-hydroxybutyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-butyl-5-(2-furanyl)-2-(4-hydroxybutyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-5-(furan-2-yl)-2-(4-hydroxybutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-butyl-5-(2-furyl)-2-(4-hydroxybutyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C30H33NO7 MolecularWeight: 519.58552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CCCCO)(C)OC(=O)C3=CC=C(C=C3)OC)C4=CC=CO4

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CCCCO)(C)OC(=O)C3=CC=C(C=C3)OC)C4=CC=CO4

InChI

InChI=1S/C30H33NO7/c1-4-5-9-21-18-23-24(19-31(21)15-6-7-16-32)27(33)30(2,28(34)26(23)25-10-8-17-37-25)38-29(35)20-11-13-22(36-3)14-12-20/h8,10-14,17-19,32H,4-7,9,15-16H2,1-3H3