ethyl 4-(4-ethanoylpiperazin-1-yl)-3-[(2-methylphenyl)carbonylamino]benzoate

Systemtic Name: ethyl 4-(4-ethanoylpiperazin-1-yl)-3-[(2-methylphenyl)carbonylamino]benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(2-methylbenzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(2-methylphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(2-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-(o-toluoylamino)benzoic acid ethyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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=CC=C3C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C23H27N3O4/c1-4-30-23(29)18-9-10-21(26-13-11-25(12-14-26)17(3)27)20(15-18)24-22(28)19-8-6-5-7-16(19)2/h5-10,15H,4,11-14H2,1-3H3,(H,24,28)