1-[(3-methylpyridin-2-yl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylpyridin-2-yl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-2-pyridyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-2-yl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-2-pyridyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C25H26N2O2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C25H26N2O2/c1-18-7-5-15-26-23(18)24(27-16-6-10-22(17-27)25(28)29)21-13-11-20(12-14-21)19-8-3-2-4-9-19/h2-5,7-9,11-15,22,24H,6,10,16-17H2,1H3,(H,28,29)