1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid CAS Name: 1-[6-(4-methoxyphenyl)-4-pyrimidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]nipecotic acid Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC=N2)N3CCCC(C3)C(=O)O

InChI

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