ethyl 3-[(4-chlorophenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[(4-chlorophenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(4-chlorobenzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(4-chlorophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(4-chlorobenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(4-chlorobenzoyl)amino]benzoic acid ethyl ester Formula: C22H24ClN3O4 MolecularWeight: 429.89666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O4/c1-3-30-22(29)17-6-9-20(26-12-10-25(11-13-26)15(2)27)19(14-17)24-21(28)16-4-7-18(23)8-5-16/h4-9,14H,3,10-13H2,1-2H3,(H,24,28)