1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(3-bromoanilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(3-bromoanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(3-bromoanilino)-2-keto-ethyl]nipecotic acid Formula: C14H17BrN2O3 MolecularWeight: 341.20038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC(=O)NC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C14H17BrN2O3/c15-11-4-1-5-12(7-11)16-13(18)9-17-6-2-3-10(8-17)14(19)20/h1,4-5,7,10H,2-3,6,8-9H2,(H,16,18)(H,19,20)