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

Systemtic Name: ethyl 3-[(4-butoxyphenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-butoxybenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(4-butoxyphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-butoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(4-butoxybenzoyl)amino]benzoic acid ethyl ester Formula: C31H35N3O5 MolecularWeight: 529.6267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=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/C31H35N3O5/c1-3-5-21-39-26-14-11-23(12-15-26)29(35)32-27-22-25(31(37)38-4-2)13-16-28(27)33-17-19-34(20-18-33)30(36)24-9-7-6-8-10-24/h6-16,22H,3-5,17-21H2,1-2H3,(H,32,35)