2-(4,6-dimethylpyrimidin-2-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2/c1-11-9-12(2)20-17(19-11)21-10-13-7-5-6-8-14(13)18(3,4)15(21)16(22)23/h5-9,15H,10H2,1-4H3,(H,22,23)