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

Systemtic Name: 1-[(4-ethylphenyl)-pyridin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(3-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-(3-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(3-pyridyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CN=CC=C2)N3CCCCC3C(=O)O

InChI

InChI=1S/C20H24N2O2/c1-2-15-8-10-16(11-9-15)19(17-6-5-12-21-14-17)22-13-4-3-7-18(22)20(23)24/h5-6,8-12,14,18-19H,2-4,7,13H2,1H3,(H,23,24)