ethyl 3-[(2-bromophenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(2-bromophenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-bromobenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(2-bromophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-bromobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(2-bromobenzoyl)amino]benzoic acid ethyl ester Formula: C27H26BrN3O4 MolecularWeight: 536.41704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C27H26BrN3O4/c1-2-35-27(34)20-12-13-24(23(18-20)29-25(32)21-10-6-7-11-22(21)28)30-14-16-31(17-15-30)26(33)19-8-4-3-5-9-19/h3-13,18H,2,14-17H2,1H3,(H,29,32)