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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-pyridyl)methyl]nipecotic acid Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CN=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CN=CC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H21BrN2O3/c1-25-17-7-6-15(20)10-16(17)18(13-4-2-8-21-11-13)22-9-3-5-14(12-22)19(23)24/h2,4,6-8,10-11,14,18H,3,5,9,12H2,1H3,(H,23,24)