methyl 4-(4-ethanoylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-ethanoylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(4-isopropylbenzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[oxo-(4-propan-2-ylphenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(4-propan-2-ylbenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-(cumoylamino)benzoic acid methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C24H29N3O4/c1-16(2)18-5-7-19(8-6-18)23(29)25-21-15-20(24(30)31-4)9-10-22(21)27-13-11-26(12-14-27)17(3)28/h5-10,15-16H,11-14H2,1-4H3,(H,25,29)