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

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(4,6-dimethoxy-2-pyrimidinyl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2CC3=CC=CC=C3C(C2C(=O)O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N2CC3=CC=CC=C3C(C2C(=O)O)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H21N3O4/c1-28-17-12-18(29-2)24-22(23-17)25-13-15-10-6-7-11-16(15)19(20(25)21(26)27)14-8-4-3-5-9-14/h3-12,19-20H,13H2,1-2H3,(H,26,27)