1-[(4-ethylphenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-ethylphenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(2-pyridyl)methyl]nipecotic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H24N2O2/c1-2-15-8-10-16(11-9-15)19(18-7-3-4-12-21-18)22-13-5-6-17(14-22)20(23)24/h3-4,7-12,17,19H,2,5-6,13-14H2,1H3,(H,23,24)