ethyl 3-[(3,5-diethoxyphenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(3,5-diethoxyphenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3,5-diethoxybenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(3,5-diethoxyphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3,5-diethoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3,5-diethoxybenzoyl)amino]benzoic acid ethyl ester Formula: C31H35N3O6 MolecularWeight: 545.6261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35N3O6/c1-4-38-25-18-24(19-26(21-25)39-5-2)29(35)32-27-20-23(31(37)40-6-3)12-13-28(27)33-14-16-34(17-15-33)30(36)22-10-8-7-9-11-22/h7-13,18-21H,4-6,14-17H2,1-3H3,(H,32,35)