1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3-methyl-isoquinoline

Systemtic Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3-methyl-isoquinoline Openeye Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3-methyl-isoquinoline CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3-methylisoquinoline IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3-methylisoquinoline Traditional Name: 1-(3,4-diethoxybenzyl)-6,7-diethoxy-3-methyl-isoquinoline Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=NC(=CC3=CC(=C(C=C32)OCC)OCC)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=NC(=CC3=CC(=C(C=C32)OCC)OCC)C)OCC

InChI

InChI=1S/C25H31NO4/c1-6-27-22-11-10-18(14-23(22)28-7-2)13-21-20-16-25(30-9-4)24(29-8-3)15-19(20)12-17(5)26-21/h10-12,14-16H,6-9,13H2,1-5H3