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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-pyridin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-pyridin-4-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-pyridyl)methyl]isonipecotic acid Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC=NC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=NC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H21ClN2O3/c1-25-17-3-2-15(20)12-16(17)18(13-4-8-21-9-5-13)22-10-6-14(7-11-22)19(23)24/h2-5,8-9,12,14,18H,6-7,10-11H2,1H3,(H,23,24)