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

Systemtic Name: methyl 2-(methylamino)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(methylamino)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(methylamino)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(methylamino)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-2-(methylamino)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CNN1C(=C(C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC

Isomeric SMILES

CNN1C(=C(C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC

InChI

InChI=1S/C21H22N2O6/c1-22-23-18(21(25)29-5)17(13-8-6-7-9-14(13)20(23)24)12-10-15(26-2)19(28-4)16(11-12)27-3/h6-11,22H,1-5H3