1-[1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-isopropylphenyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(4-propan-2-ylphenyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-p-cumenyl-2-(2-pyridyl)ethyl]nipecotic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H28N2O2/c1-16(2)17-8-10-18(11-9-17)21(14-20-7-3-4-12-23-20)24-13-5-6-19(15-24)22(25)26/h3-4,7-12,16,19,21H,5-6,13-15H2,1-2H3,(H,25,26)