ethyl 3-[(4-iodophenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(4-iodophenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-iodobenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(4-iodophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-iodobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(4-iodobenzoyl)amino]benzoic acid ethyl ester Formula: C27H26IN3O4 MolecularWeight: 583.41751

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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(C=C4)I

Isomeric SMILES

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

InChI

InChI=1S/C27H26IN3O4/c1-2-35-27(34)21-10-13-24(23(18-21)29-25(32)19-8-11-22(28)12-9-19)30-14-16-31(17-15-30)26(33)20-6-4-3-5-7-20/h3-13,18H,2,14-17H2,1H3,(H,29,32)