1-[(4-bromophenyl)-(3-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(3-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(3-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C19H21BrN2O2 MolecularWeight: 389.28624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CC=C(C=C2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CC=C(C=C2)Br)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H21BrN2O2/c1-13-3-2-10-21-17(13)18(14-4-6-16(20)7-5-14)22-11-8-15(9-12-22)19(23)24/h2-7,10,15,18H,8-9,11-12H2,1H3,(H,23,24)