1-[3-(3-bromophenyl)propanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(3-bromophenyl)propanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(3-bromophenyl)propanoyl]piperidine-3-carboxylic acid CAS Name: 1-[3-(3-bromophenyl)-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(3-bromophenyl)propanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(3-bromophenyl)propanoyl]nipecotic acid Formula: C15H18BrNO3 MolecularWeight: 340.21232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C15H18BrNO3/c16-13-5-1-3-11(9-13)6-7-14(18)17-8-2-4-12(10-17)15(19)20/h1,3,5,9,12H,2,4,6-8,10H2,(H,19,20)