2-[4-(3-methoxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-(3-methoxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-methoxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-methoxyphenyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-methoxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-methoxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCNCC2)C3=NC=C(C=N3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCNCC2)C3=NC=C(C=N3)C(=O)O

InChI

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