[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C21H22BrN3O4 MolecularWeight: 460.32108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)Br)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)Br)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O4/c22-16-5-4-8-18(13-16)23-19(26)14-29-20(27)15-9-11-25(12-10-15)21(28)24-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,23,26)(H,24,28)