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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

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