ethyl 3-[(5-bromanylfuran-2-yl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(5-bromanylfuran-2-yl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-bromofuran-2-carbonyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(5-bromo-2-furanyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-bromofuran-2-carbonyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(5-bromo-2-furoyl)amino]benzoic acid ethyl ester Formula: C25H24BrN3O5 MolecularWeight: 526.37916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=C(O4)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C25H24BrN3O5/c1-2-33-25(32)18-8-9-20(19(16-18)27-23(30)21-10-11-22(26)34-21)28-12-14-29(15-13-28)24(31)17-6-4-3-5-7-17/h3-11,16H,2,12-15H2,1H3,(H,27,30)