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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

InChI

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