methyl 1-prop-2-enoxy-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 1-prop-2-enoxy-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 1-allyloxy-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-prop-2-enoxy-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-prop-2-enoxy-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-allyloxy-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C29H28N2O7 MolecularWeight: 516.54182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N=C(C3=C2C=CC(=C3)OCC4=CC=CC=N4)OCC=C)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N=C(C3=C2C=CC(=C3)OCC4=CC=CC=N4)OCC=C)C(=O)OC

InChI

InChI=1S/C29H28N2O7/c1-6-13-37-28-22-16-20(38-17-19-9-7-8-12-30-19)10-11-21(22)25(26(31-28)29(32)36-5)18-14-23(33-2)27(35-4)24(15-18)34-3/h6-12,14-16H,1,13,17H2,2-5H3