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

Systemtic Name: methyl 1-propan-2-yloxy-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 1-isopropoxy-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-propan-2-yloxy-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-propan-2-yloxy-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-isopropoxy-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C29H30N2O7 MolecularWeight: 518.5577

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC(=C(C2=C1C=C(C=C2)OCC3=CC=CC=N3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC

Isomeric SMILES

CC(C)OC1=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/C29H30N2O7/c1-17(2)38-28-22-15-20(37-16-19-9-7-8-12-30-19)10-11-21(22)25(26(31-28)29(32)36-6)18-13-23(33-3)27(35-5)24(14-18)34-4/h7-15,17H,16H2,1-6H3