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

Systemtic Name: methyl 4-[[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-bromobenzoyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4/c1-28-21(27)16-4-8-18(9-5-16)23-19(25)14-10-12-24(13-11-14)20(26)15-2-6-17(22)7-3-15/h2-9,14H,10-13H2,1H3,(H,23,25)