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

Systemtic Name: [3-butyl-5-(furan-2-yl)-7-methyl-6,8-bis(oxidanylidene)-2-phenyl-isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [3-butyl-5-(2-furyl)-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-butyl-5-(2-furanyl)-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolinyl] ester IUPAC Name: [3-butyl-5-(furan-2-yl)-7-methyl-6,8-dioxo-2-phenylisoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-butyl-5-(2-furyl)-6,8-diketo-7-methyl-2-phenyl-7-isoquinolyl] ester Formula: C32H29NO6 MolecularWeight: 523.57576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C3=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=CN1C3=CC=CC=C3)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

InChI

InChI=1S/C32H29NO6/c1-4-5-10-23-19-25-26(20-33(23)22-11-7-6-8-12-22)29(34)32(2,30(35)28(25)27-13-9-18-38-27)39-31(36)21-14-16-24(37-3)17-15-21/h6-9,11-20H,4-5,10H2,1-3H3