1-[(3-methoxyphenyl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-pyridin-4-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-(4-pyridyl)methyl]nipecotic acid Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c1-24-17-6-2-4-15(12-17)18(14-7-9-20-10-8-14)21-11-3-5-16(13-21)19(22)23/h2,4,6-10,12,16,18H,3,5,11,13H2,1H3,(H,22,23)