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

Systemtic Name: methyl 2-ethyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-ethyl-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-ethyl-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-ethyl-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC

InChI

InChI=1S/C22H23NO6/c1-6-23-19(22(25)29-5)18(14-9-7-8-10-15(14)21(23)24)13-11-16(26-2)20(28-4)17(12-13)27-3/h7-12H,6H2,1-5H3