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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H21N3O2 MolecularWeight: 359.42104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CC3=CC=CC=C3C(C2C(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CC3=CC=CC=C3C(C2C(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H21N3O2/c1-14-12-15(2)24-22(23-14)25-13-17-10-6-7-11-18(17)19(20(25)21(26)27)16-8-4-3-5-9-16/h3-12,19-20H,13H2,1-2H3,(H,26,27)