1-[(5-methylpyridin-2-yl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(5-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-methyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylpyridin-2-yl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-methyl-2-pyridyl)-p-cumenyl-methyl]isonipecotic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC=C(C=C2)C(C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC=C(C=C2)C(C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H28N2O2/c1-15(2)17-5-7-18(8-6-17)21(20-9-4-16(3)14-23-20)24-12-10-19(11-13-24)22(25)26/h4-9,14-15,19,21H,10-13H2,1-3H3,(H,25,26)