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

Systemtic Name: methyl 1-oxidanylidene-2-phenyl-7-(pyridin-3-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate hydrochloride Openeye Name: methyl 1-oxo-2-phenyl-7-(3-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate hydrochloride CAS Name: 1-oxo-2-phenyl-7-(3-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 1-oxo-2-phenyl-7-(pyridin-3-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate hydrochloride Traditional Name: 1-keto-2-phenyl-7-(3-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester hydrochloride Formula: C32H29ClN2O7 MolecularWeight: 589.03486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CN=CC=C4)C5=CC=CC=C5)C(=O)OC.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CN=CC=C4)C5=CC=CC=C5)C(=O)OC.Cl

InChI

InChI=1S/C32H28N2O7.ClH/c1-37-26-15-21(16-27(38-2)30(26)39-3)28-24-13-12-23(41-19-20-9-8-14-33-18-20)17-25(24)31(35)34(29(28)32(36)40-4)22-10-6-5-7-11-22;/h5-18H,19H2,1-4H3;1H