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

Systemtic Name: methyl 3-[2-(4-bromanylphenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H26BrN3O4/c1-3-25-10-12-26(13-11-25)20-9-4-16(22(28)29-2)14-19(20)24-21(27)15-30-18-7-5-17(23)6-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)