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

Systemtic Name: ethyl 3-[2-(4-bromanylphenoxy)ethanoylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-bromophenoxy)acetyl]amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[2-(4-bromophenoxy)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-bromophenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[[2-(4-bromophenoxy)acetyl]amino]benzoic acid ethyl ester Formula: C23H26BrN3O5 MolecularWeight: 504.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H26BrN3O5/c1-3-31-23(30)17-4-9-21(27-12-10-26(11-13-27)16(2)28)20(14-17)25-22(29)15-32-19-7-5-18(24)6-8-19/h4-9,14H,3,10-13,15H2,1-2H3,(H,25,29)