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

Systemtic Name: 1-[(4-propan-2-ylphenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[p-cumenyl(3-pyridyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CN=CC=C2)N3CCCC(C3)C(=O)O

InChI

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