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

Systemtic Name: ethyl 3-[(3-bromophenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-bromobenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(3-bromophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-bromobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3-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=C4)Br

Isomeric SMILES

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

InChI

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