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

Systemtic Name: [3-butyl-5-(furan-2-yl)-7-methyl-6,8-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [2-benzyl-3-butyl-5-(2-furyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-butyl-5-(2-furanyl)-7-methyl-6,8-dioxo-2-(phenylmethyl)-7-isoquinolinyl] ester IUPAC Name: [2-benzyl-3-butyl-5-(furan-2-yl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-benzyl-3-butyl-5-(2-furyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C33H31NO6 MolecularWeight: 537.60234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CC3=CC=CC=C3)(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=CC=C3)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

InChI

InChI=1S/C33H31NO6/c1-4-5-12-24-19-26-27(21-34(24)20-22-10-7-6-8-11-22)30(35)33(2,31(36)29(26)28-13-9-18-39-28)40-32(37)23-14-16-25(38-3)17-15-23/h6-11,13-19,21H,4-5,12,20H2,1-3H3