ethyl 3-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-bromo-2-chloro-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-bromo-2-chlorobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(5-bromo-2-chloro-benzoyl)amino]benzoic acid ethyl ester Formula: C27H25BrClN3O4 MolecularWeight: 570.8621

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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=C(C=CC(=C4)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H25BrClN3O4/c1-2-36-27(35)19-8-11-24(23(16-19)30-25(33)21-17-20(28)9-10-22(21)29)31-12-14-32(15-13-31)26(34)18-6-4-3-5-7-18/h3-11,16-17H,2,12-15H2,1H3,(H,30,33)