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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-1-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C(C(N1C3=NC(=CC(=N3)C)C)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1C2=CC=CC=C2C(C(N1C3=NC(=CC(=N3)C)C)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O2/c1-14-13-15(2)25-23(24-14)26-16(3)18-11-7-8-12-19(18)20(21(26)22(27)28)17-9-5-4-6-10-17/h4-13,16,20-21H,1-3H3,(H,27,28)