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

Systemtic Name: ethyl 3-[(4-ethoxyphenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-ethoxybenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(4-ethoxyphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-ethoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(4-ethoxybenzoyl)amino]benzoic acid ethyl ester Formula: C29H31N3O5 MolecularWeight: 501.57354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=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/C29H31N3O5/c1-3-36-24-13-10-21(11-14-24)27(33)30-25-20-23(29(35)37-4-2)12-15-26(25)31-16-18-32(19-17-31)28(34)22-8-6-5-7-9-22/h5-15,20H,3-4,16-19H2,1-2H3,(H,30,33)