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

Systemtic Name: methyl 3-[2-(4-bromanylphenoxy)ethanoylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H24BrN3O5 MolecularWeight: 490.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H24BrN3O5/c1-15(27)25-9-11-26(12-10-25)20-8-3-16(22(29)30-2)13-19(20)24-21(28)14-31-18-6-4-17(23)5-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,24,28)