methyl 3-[[3,5-bis(bromanyl)-2-iodanyl-phenyl]carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[[3,5-bis(bromanyl)-2-iodanyl-phenyl]carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(3,5-dibromo-2-iodo-benzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(3,5-dibromo-2-iodophenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3,5-dibromo-2-iodobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(3,5-dibromo-2-iodo-benzoyl)amino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C21H22Br2IN3O3 MolecularWeight: 651.13015

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CC(=C3I)Br)Br

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CC(=C3I)Br)Br

InChI

InChI=1S/C21H22Br2IN3O3/c1-3-26-6-8-27(9-7-26)18-5-4-13(21(29)30-2)10-17(18)25-20(28)15-11-14(22)12-16(23)19(15)24/h4-5,10-12H,3,6-9H2,1-2H3,(H,25,28)