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

Systemtic Name: [3-butyl-5-(furan-2-yl)-7-methyl-6,8-bis(oxidanylidene)-2-(3-propan-2-yloxypropyl)isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [3-butyl-5-(2-furyl)-2-(3-isopropoxypropyl)-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-(3-propan-2-yloxypropyl)-7-isoquinolinyl] ester IUPAC Name: [3-butyl-5-(furan-2-yl)-7-methyl-6,8-dioxo-2-(3-propan-2-yloxypropyl)isoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-butyl-5-(2-furyl)-2-(3-isopropoxypropyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C32H37NO7 MolecularWeight: 547.63868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CCCOC(C)C)(C)OC(=O)C3=CC=C(C=C3)OC)C4=CC=CO4

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CCCOC(C)C)(C)OC(=O)C3=CC=C(C=C3)OC)C4=CC=CO4

InChI

InChI=1S/C32H37NO7/c1-6-7-10-23-19-25-26(20-33(23)16-9-18-38-21(2)3)29(34)32(4,30(35)28(25)27-11-8-17-39-27)40-31(36)22-12-14-24(37-5)15-13-22/h8,11-15,17,19-21H,6-7,9-10,16,18H2,1-5H3