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

Systemtic Name: ethyl 3-[2-(4-bromophenyl)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(4-bromophenyl)acetyl]amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[2-(4-bromophenyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(4-bromophenyl)acetyl]amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[[2-(4-bromophenyl)acetyl]amino]benzoic acid ethyl ester Formula: C28H28BrN3O4 MolecularWeight: 550.44362

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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)CC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C28H28BrN3O4/c1-2-36-28(35)22-10-13-25(24(19-22)30-26(33)18-20-8-11-23(29)12-9-20)31-14-16-32(17-15-31)27(34)21-6-4-3-5-7-21/h3-13,19H,2,14-18H2,1H3,(H,30,33)