1-[(5-chloranyl-2-methoxy-phenyl)-(6-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(6-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(6-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(6-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(6-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C20H23ClN2O3 MolecularWeight: 374.86122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=NC(=CC=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H23ClN2O3/c1-13-4-3-5-17(22-13)19(16-12-15(21)6-7-18(16)26-2)23-10-8-14(9-11-23)20(24)25/h3-7,12,14,19H,8-11H2,1-2H3,(H,24,25)