4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidine-4-carboxylic acid

Systemtic Name: 4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidine-4-carboxylic acid Openeye Name: 4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidine-4-carboxylic acid CAS Name: 4-(3-methoxyphenyl)-1-(2-pyrimidinyl)-4-piperidinecarboxylic acid IUPAC Name: 4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxylic acid Traditional Name: 4-(3-methoxyphenyl)-1-(2-pyrimidyl)isonipecotic acid Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=O)O

InChI

InChI=1S/C17H19N3O3/c1-23-14-5-2-4-13(12-14)17(15(21)22)6-10-20(11-7-17)16-18-8-3-9-19-16/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,21,22)