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

Systemtic Name: [3-butyl-5-(furan-2-yl)-7-methyl-6,8-bis(oxidanylidene)-2-(2-pyridin-2-ylethyl)isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [3-butyl-5-(2-furyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridyl)ethyl]-7-isoquinolyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-butyl-5-(2-furanyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridinyl)ethyl]-7-isoquinolinyl] ester IUPAC Name: [3-butyl-5-(furan-2-yl)-7-methyl-6,8-dioxo-2-(2-pyridin-2-ylethyl)isoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-butyl-5-(2-furyl)-6,8-diketo-7-methyl-2-[2-(2-pyridyl)ethyl]-7-isoquinolyl] ester Formula: C33H32N2O6 MolecularWeight: 552.61698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CCC3=CC=CC=N3)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CCC3=CC=CC=N3)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

InChI

InChI=1S/C33H32N2O6/c1-4-5-10-24-20-26-27(21-35(24)18-16-23-9-6-7-17-34-23)30(36)33(2,31(37)29(26)28-11-8-19-40-28)41-32(38)22-12-14-25(39-3)15-13-22/h6-9,11-15,17,19-21H,4-5,10,16,18H2,1-3H3