1-[(5-ethylpyridin-2-yl)-phenyl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-phenyl-methyl]nipecotic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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