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

Systemtic Name: [3-butyl-5-(furan-2-yl)-2-(furan-2-ylmethyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [3-butyl-5-(2-furyl)-2-(2-furylmethyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-butyl-5-(2-furanyl)-2-(2-furanylmethyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-5-(furan-2-yl)-2-(furan-2-ylmethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-butyl-2-(2-furfuryl)-5-(2-furyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C31H29NO7 MolecularWeight: 527.56446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CC3=CC=CO3)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CC3=CC=CO3)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

InChI

InChI=1S/C31H29NO7/c1-4-5-8-21-17-24-25(19-32(21)18-23-9-6-15-37-23)28(33)31(2,29(34)27(24)26-10-7-16-38-26)39-30(35)20-11-13-22(36-3)14-12-20/h6-7,9-17,19H,4-5,8,18H2,1-3H3