ethyl 3-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-bromo-4-ethoxy-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-bromo-4-ethoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3-bromo-4-ethoxy-benzoyl)amino]benzoic acid ethyl ester Formula: C29H30BrN3O5 MolecularWeight: 580.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C(=O)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C29H30BrN3O5/c1-3-37-26-13-11-21(18-23(26)30)27(34)31-24-19-22(29(36)38-4-2)10-12-25(24)32-14-16-33(17-15-32)28(35)20-8-6-5-7-9-20/h5-13,18-19H,3-4,14-17H2,1-2H3,(H,31,34)