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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O

InChI

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