2-methyl-1-oxidanylidene-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-methyl-1-oxidanylidene-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 1-keto-2-methyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H21NO6/c1-21-17(11-9-14(25-2)18(27-4)15(10-11)26-3)16(20(23)24)12-7-5-6-8-13(12)19(21)22/h5-10,16-17H,1-4H3,(H,23,24)