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

Systemtic Name: methyl 3-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(3,5-dibromo-2-methoxy-benzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3,5-dibromo-2-methoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(3,5-dibromo-2-methoxy-benzoyl)amino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C22H25Br2N3O4 MolecularWeight: 555.2596

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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(=C3OC)Br)Br

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CC(=C3OC)Br)Br

InChI

InChI=1S/C22H25Br2N3O4/c1-4-26-7-9-27(10-8-26)19-6-5-14(22(29)31-3)11-18(19)25-21(28)16-12-15(23)13-17(24)20(16)30-2/h5-6,11-13H,4,7-10H2,1-3H3,(H,25,28)