[1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-isoquinolin-3-yl]methyl propanoate

Systemtic Name: [1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-isoquinolin-3-yl]methyl propanoate Openeye Name: [1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-3-isoquinolyl]methyl propanoate CAS Name: propanoic acid [1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-3-isoquinolinyl]methyl ester IUPAC Name: [1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxyisoquinolin-3-yl]methyl propanoate Traditional Name: propionic acid [1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-3-isoquinolyl]methyl ester Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=C(C=C3)OC)OC)COC(=O)CC

Isomeric SMILES

CCC1=C(N=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=C(C=C3)OC)OC)COC(=O)CC

InChI

InChI=1S/C25H29NO6/c1-7-16-17-12-22(30-5)23(31-6)13-18(17)25(26-19(16)14-32-24(27)8-2)15-9-10-20(28-3)21(11-15)29-4/h9-13H,7-8,14H2,1-6H3