ethyl 3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]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)COC3=C(C=C(C=C3Br)C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)COC3=C(C=C(C=C3Br)C)C

InChI

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