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

Systemtic Name: 1-[(4-propan-2-ylphenyl)-pyridin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(3-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-(3-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[p-cumenyl(3-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=CN=CC=C2)N3CCCCC3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-15(2)16-8-10-17(11-9-16)20(18-6-5-12-22-14-18)23-13-4-3-7-19(23)21(24)25/h5-6,8-12,14-15,19-20H,3-4,7,13H2,1-2H3,(H,24,25)