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

Systemtic Name: methyl 1-ethoxy-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 1-ethoxy-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-ethoxy-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-ethoxy-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-ethoxy-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C28H28N2O7 MolecularWeight: 504.53112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=C(C2=C1C=C(C=C2)OCC3=CC=CC=N3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC

Isomeric SMILES

CCOC1=NC(=C(C2=C1C=C(C=C2)OCC3=CC=CC=N3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC

InChI

InChI=1S/C28H28N2O7/c1-6-36-27-21-15-19(37-16-18-9-7-8-12-29-18)10-11-20(21)24(25(30-27)28(31)35-5)17-13-22(32-2)26(34-4)23(14-17)33-3/h7-15H,6,16H2,1-5H3