6,7-diethoxy-3-(3-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 6,7-diethoxy-3-(3-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 6,7-diethoxy-3-(3-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 6,7-diethoxy-3-(3-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 6,7-diethoxy-3-(3-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 6,7-diethoxy-1-keto-3-(3-methoxyphenyl)-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(C(N(C2=O)C)C3=CC(=CC=C3)OC)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(C(N(C2=O)C)C3=CC(=CC=C3)OC)C(=O)O)OCC

InChI

InChI=1S/C22H25NO6/c1-5-28-17-11-15-16(12-18(17)29-6-2)21(24)23(3)20(19(15)22(25)26)13-8-7-9-14(10-13)27-4/h7-12,19-20H,5-6H2,1-4H3,(H,25,26)