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

Systemtic Name: 1-[(4-propan-2-ylphenyl)-pyridin-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-(2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[p-cumenyl(2-pyridyl)methyl]pipecolinic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CC=N2)N3CCCCC3C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC=CC=N2)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H26N2O2/c1-15(2)16-9-11-17(12-10-16)20(18-7-3-5-13-22-18)23-14-6-4-8-19(23)21(24)25/h3,5,7,9-13,15,19-20H,4,6,8,14H2,1-2H3,(H,24,25)