1-[(2,4-dichlorophenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(5-ethyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(5-ethyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(5-ethyl-2-pyridyl)methyl]nipecotic acid Formula: C20H22Cl2N2O2 MolecularWeight: 393.30688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H22Cl2N2O2/c1-2-13-5-8-18(23-11-13)19(16-7-6-15(21)10-17(16)22)24-9-3-4-14(12-24)20(25)26/h5-8,10-11,14,19H,2-4,9,12H2,1H3,(H,25,26)