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

Systemtic Name: [3-butyl-5-(furan-2-yl)-2-(2-methoxyethyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [3-butyl-5-(2-furyl)-2-(2-methoxyethyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-butyl-5-(2-furanyl)-2-(2-methoxyethyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-5-(furan-2-yl)-2-(2-methoxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-butyl-5-(2-furyl)-6,8-diketo-2-(2-methoxyethyl)-7-methyl-7-isoquinolyl] ester Formula: C29H31NO7 MolecularWeight: 505.55894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CCOC)(C)OC(=O)C3=CC=C(C=C3)OC)C4=CC=CO4

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CCOC)(C)OC(=O)C3=CC=C(C=C3)OC)C4=CC=CO4

InChI

InChI=1S/C29H31NO7/c1-5-6-8-20-17-22-23(18-30(20)14-16-34-3)26(31)29(2,27(32)25(22)24-9-7-15-36-24)37-28(33)19-10-12-21(35-4)13-11-19/h7,9-13,15,17-18H,5-6,8,14,16H2,1-4H3