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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CC3=C(CC2C(=O)O)C=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CC3=C(CC2C(=O)O)C=C(C=C3)OC)C

InChI

InChI=1S/C17H19N3O3/c1-10-6-11(2)19-17(18-10)20-9-12-4-5-14(23-3)7-13(12)8-15(20)16(21)22/h4-7,15H,8-9H2,1-3H3,(H,21,22)