(phenylmethyl) 4-(2-bromanylethanoylamino)-4-(methylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-bromanylethanoylamino)-4-(methylcarbamoyl)piperidine-1-carboxylate Openeye Name: benzyl 4-[(2-bromoacetyl)amino]-4-(methylcarbamoyl)piperidine-1-carboxylate CAS Name: 4-[(2-bromo-1-oxoethyl)amino]-4-(methylcarbamoyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2-bromoacetyl)amino]-4-(methylcarbamoyl)piperidine-1-carboxylate Traditional Name: 4-[(2-bromoacetyl)amino]-4-(methylcarbamoyl)piperidine-1-carboxylic acid benzyl ester Formula: C17H22BrN3O4 MolecularWeight: 412.27828

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1(CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(=O)CBr

Isomeric SMILES

CNC(=O)C1(CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(=O)CBr

InChI

InChI=1S/C17H22BrN3O4/c1-19-15(23)17(20-14(22)11-18)7-9-21(10-8-17)16(24)25-12-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,19,23)(H,20,22)