1-[(5-chloranyl-2-methoxy-phenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(5-ethyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(5-ethyl-2-pyridyl)methyl]nipecotic acid Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3/c1-3-14-6-8-18(23-12-14)20(17-11-16(22)7-9-19(17)27-2)24-10-4-5-15(13-24)21(25)26/h6-9,11-12,15,20H,3-5,10,13H2,1-2H3,(H,25,26)