2-[1-(dimethylamino)propan-2-yl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-[1-(dimethylamino)propan-2-yl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-[2-(dimethylamino)-1-methyl-ethyl]-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 2-[1-(dimethylamino)propan-2-yl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-[1-(dimethylamino)propan-2-yl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-[2-(dimethylamino)-1-methyl-ethyl]-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=CC=CC=C3C(=CN2C(C)CN(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C3=CC=CC=C3C(=CN2C(C)CN(C)C)C(=O)O

InChI

InChI=1S/C22H26N2O2/c1-15-9-5-6-10-17(15)21-19-12-8-7-11-18(19)20(22(25)26)14-24(21)16(2)13-23(3)4/h5-12,14,16,21H,13H2,1-4H3,(H,25,26)