2-(4,6-dimethylpyrimidin-2-yl)-1,4-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-1,4-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-1,4-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-1,4-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-1,4-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-1,4-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(C2=CC=CC=C12)C)C3=NC(=CC(=N3)C)C)C(=O)O

Isomeric SMILES

CC1C(N(C(C2=CC=CC=C12)C)C3=NC(=CC(=N3)C)C)C(=O)O

InChI

InChI=1S/C18H21N3O2/c1-10-9-11(2)20-18(19-10)21-13(4)15-8-6-5-7-14(15)12(3)16(21)17(22)23/h5-9,12-13,16H,1-4H3,(H,22,23)