ethyl 4-(6,7-dimethoxyisoquinolin-1-yl)-4-(3,4-dimethoxyphenyl)butanoate

Systemtic Name: ethyl 4-(6,7-dimethoxyisoquinolin-1-yl)-4-(3,4-dimethoxyphenyl)butanoate Openeye Name: ethyl 4-(6,7-dimethoxy-1-isoquinolyl)-4-(3,4-dimethoxyphenyl)butanoate CAS Name: 4-(6,7-dimethoxy-1-isoquinolinyl)-4-(3,4-dimethoxyphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(6,7-dimethoxyisoquinolin-1-yl)-4-(3,4-dimethoxyphenyl)butanoate Traditional Name: 4-(6,7-dimethoxy-1-isoquinolyl)-4-(3,4-dimethoxyphenyl)butyric acid ethyl ester Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC(=C(C=C1)OC)OC)C2=NC=CC3=CC(=C(C=C32)OC)OC

Isomeric SMILES

CCOC(=O)CCC(C1=CC(=C(C=C1)OC)OC)C2=NC=CC3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C25H29NO6/c1-6-32-24(27)10-8-18(16-7-9-20(28-2)21(13-16)29-3)25-19-15-23(31-5)22(30-4)14-17(19)11-12-26-25/h7,9,11-15,18H,6,8,10H2,1-5H3