methyl 3-[2-(4-bromanylphenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[2-(4-bromanylphenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(4-bromophenoxy)acetyl]amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[2-(4-bromophenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(4-bromophenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[[2-(4-bromophenoxy)acetyl]amino]benzoic acid methyl ester Formula: C27H26BrN3O5 MolecularWeight: 552.41644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C27H26BrN3O5/c1-35-27(34)20-7-12-24(23(17-20)29-25(32)18-36-22-10-8-21(28)9-11-22)30-13-15-31(16-14-30)26(33)19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,29,32)