ethyl 3-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-4-(4-ethanoylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[2-(4-bromophenoxy)-2-methyl-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]benzoic acid ethyl ester Formula: C25H30BrN3O5 MolecularWeight: 532.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H30BrN3O5/c1-5-33-23(31)18-6-11-22(29-14-12-28(13-15-29)17(2)30)21(16-18)27-24(32)25(3,4)34-20-9-7-19(26)8-10-20/h6-11,16H,5,12-15H2,1-4H3,(H,27,32)