methyl 2-cyclopropyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-cyclopropyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-cyclopropyl-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-cyclopropyl-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-cyclopropyl-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-cyclopropyl-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4CC4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4CC4)C(=O)OC

InChI

InChI=1S/C23H23NO6/c1-27-17-11-13(12-18(28-2)21(17)29-3)19-15-7-5-6-8-16(15)22(25)24(14-9-10-14)20(19)23(26)30-4/h5-8,11-12,14H,9-10H2,1-4H3