methyl 6,7-dimethoxy-1-(pyridin-3-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 6,7-dimethoxy-1-(pyridin-3-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 6,7-dimethoxy-1-(3-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 6,7-dimethoxy-1-(3-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6,7-dimethoxy-1-(pyridin-3-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 6,7-dimethoxy-1-(3-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C28H28N2O8 MolecularWeight: 520.53052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N=C(C3=CC(=C(C=C32)OC)OC)OCC4=CN=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N=C(C3=CC(=C(C=C32)OC)OC)OCC4=CN=CC=C4)C(=O)OC

InChI

InChI=1S/C28H28N2O8/c1-32-20-12-18-19(13-21(20)33-2)27(38-15-16-8-7-9-29-14-16)30-25(28(31)37-6)24(18)17-10-22(34-3)26(36-5)23(11-17)35-4/h7-14H,15H2,1-6H3