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

Systemtic Name: 1-[(4-chlorophenyl)-(3-methylpyridin-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)-(3-methyl-4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-(3-methyl-4-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)-(3-methylpyridin-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-chlorophenyl)-(3-methyl-4-pyridyl)methyl]nipecotic acid Formula: C19H21ClN2O2 MolecularWeight: 344.83524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC=C(C=C2)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC=C(C=C2)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H21ClN2O2/c1-13-11-21-9-8-17(13)18(14-4-6-16(20)7-5-14)22-10-2-3-15(12-22)19(23)24/h4-9,11,15,18H,2-3,10,12H2,1H3,(H,23,24)