3-(4-ethylphenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(4-ethylphenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(4-ethylphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(4-ethylphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(4-ethylphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(4-ethylphenyl)-1-keto-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C3=CC(=C(C=C3C(=O)N2C)OC)OC)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(C3=CC(=C(C=C3C(=O)N2C)OC)OC)C(=O)O

InChI

InChI=1S/C21H23NO5/c1-5-12-6-8-13(9-7-12)19-18(21(24)25)14-10-16(26-3)17(27-4)11-15(14)20(23)22(19)2/h6-11,18-19H,5H2,1-4H3,(H,24,25)