[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H24BrN3O4 MolecularWeight: 474.34766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)Br

InChI

InChI=1S/C22H24BrN3O4/c1-15-7-8-19(18(23)13-15)25-20(27)14-30-21(28)16-9-11-26(12-10-16)22(29)24-17-5-3-2-4-6-17/h2-8,13,16H,9-12,14H2,1H3,(H,24,29)(H,25,27)