2-(2,4-dimethylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2,4-dimethylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(2,4-dimethylphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C19H19NO3 MolecularWeight: 309.35906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O)C

InChI

InChI=1S/C19H19NO3/c1-12-7-8-16(13(2)9-12)18(21)20-11-15-6-4-3-5-14(15)10-17(20)19(22)23/h3-9,17H,10-11H2,1-2H3,(H,22,23)