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

Systemtic Name: ethyl 3-[2-(4-bromanylphenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H28BrN3O5 MolecularWeight: 566.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C28H28BrN3O5/c1-2-36-28(35)21-8-13-25(24(18-21)30-26(33)19-37-23-11-9-22(29)10-12-23)31-14-16-32(17-15-31)27(34)20-6-4-3-5-7-20/h3-13,18H,2,14-17,19H2,1H3,(H,30,33)