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

Systemtic Name: ethyl 3-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[2-(4-bromophenoxy)-2-methyl-1-oxopropyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C25H32BrN3O4 MolecularWeight: 518.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H32BrN3O4/c1-5-28-13-15-29(16-14-28)22-12-7-18(23(30)32-6-2)17-21(22)27-24(31)25(3,4)33-20-10-8-19(26)9-11-20/h7-12,17H,5-6,13-16H2,1-4H3,(H,27,31)