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

Systemtic Name: 3-(2,4-dimethylphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(2,4-dimethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(2,4-dimethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(2,4-dimethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(2,4-dimethylphenyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H19NO3 MolecularWeight: 309.35906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)O)C

InChI

InChI=1S/C19H19NO3/c1-11-8-9-13(12(2)10-11)17-16(19(22)23)14-6-4-5-7-15(14)18(21)20(17)3/h4-10,16-17H,1-3H3,(H,22,23)