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

Systemtic Name: [3-butyl-2-(cyclopropylmethyl)-5-(furan-2-yl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [3-butyl-2-(cyclopropylmethyl)-5-(2-furyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-butyl-2-(cyclopropylmethyl)-5-(2-furanyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-2-(cyclopropylmethyl)-5-(furan-2-yl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-butyl-2-(cyclopropylmethyl)-5-(2-furyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C30H31NO6 MolecularWeight: 501.57024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CC3CC3)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CC3CC3)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

InChI

InChI=1S/C30H31NO6/c1-4-5-7-21-16-23-24(18-31(21)17-19-9-10-19)27(32)30(2,28(33)26(23)25-8-6-15-36-25)37-29(34)20-11-13-22(35-3)14-12-20/h6,8,11-16,18-19H,4-5,7,9-10,17H2,1-3H3