3-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(3,4-dimethoxyphenyl)-1-oxo-2-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-1-keto-2-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H23NO5/c1-15-8-11-17(12-9-15)26-23(16-10-13-20(30-2)21(14-16)31-3)22(25(28)29)18-6-4-5-7-19(18)24(26)27/h4-14,22-23H,1-3H3,(H,28,29)