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

Systemtic Name: 1-[1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(4-isopropylphenyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(4-propan-2-ylphenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-p-cumenyl-2-(2-pyridyl)ethyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

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