methyl 1-[[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-(4-bromobenzoyl)isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H27BrN2O4 MolecularWeight: 451.35408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H27BrN2O4/c1-28-20(27)21(11-3-2-4-12-21)23-18(25)15-9-13-24(14-10-15)19(26)16-5-7-17(22)8-6-16/h5-8,15H,2-4,9-14H2,1H3,(H,23,25)