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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(5-ethyl-2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(5-ethyl-2-pyridyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H25ClN2O3/c1-3-14-7-9-17(23-13-14)20(16-12-15(22)8-10-19(16)27-2)24-11-5-4-6-18(24)21(25)26/h7-10,12-13,18,20H,3-6,11H2,1-2H3,(H,25,26)