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

Systemtic Name: 1-[(4-ethylphenyl)-pyridin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-pyridin-4-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(4-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=CC=NC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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