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

Systemtic Name: methyl 1-oxidanylidene-2-phenyl-7-(quinolin-4-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 1-oxo-2-phenyl-7-(4-quinolylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-oxo-2-phenyl-7-(4-quinolinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-phenyl-7-(quinolin-4-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-2-phenyl-7-(4-quinolylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C36H30N2O7 MolecularWeight: 602.6326

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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=CC=NC5=CC=CC=C45)C6=CC=CC=C6)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=NC5=CC=CC=C45)C6=CC=CC=C6)C(=O)OC

InChI

InChI=1S/C36H30N2O7/c1-41-30-18-23(19-31(42-2)34(30)43-3)32-27-15-14-25(45-21-22-16-17-37-29-13-9-8-12-26(22)29)20-28(27)35(39)38(33(32)36(40)44-4)24-10-6-5-7-11-24/h5-20H,21H2,1-4H3