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

Systemtic Name: ethyl 3-[(4-ethylphenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-ethylbenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(4-ethylphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-ethylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(4-ethylbenzoyl)amino]benzoic acid ethyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4/c1-3-21-10-12-22(13-11-21)27(33)30-25-20-24(29(35)36-4-2)14-15-26(25)31-16-18-32(19-17-31)28(34)23-8-6-5-7-9-23/h5-15,20H,3-4,16-19H2,1-2H3,(H,30,33)