1-[2-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-benzoyl-4-bromo-anilino)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2-benzoyl-4-bromoanilino)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-benzoyl-4-bromoanilino)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-benzoyl-4-bromo-anilino)acetyl]isonipecotic acid Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CNC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CNC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O4/c22-16-6-7-18(17(12-16)20(26)14-4-2-1-3-5-14)23-13-19(25)24-10-8-15(9-11-24)21(27)28/h1-7,12,15,23H,8-11,13H2,(H,27,28)