3-[(4-methylphenyl)carbonylamino]-4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[(4-methylphenyl)carbonylamino]-4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(4-methylbenzoyl)amino]-4-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-yl]benzoic acid CAS Name: 3-[[(4-methylphenyl)-oxomethyl]amino]-4-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-[(4-methylbenzoyl)amino]-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(2-keto-2-morpholino-ethyl)piperazino]-3-(p-toluoylamino)benzoic acid Formula: C25H30N4O5 MolecularWeight: 466.5295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)CC(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)CC(=O)N4CCOCC4

InChI

InChI=1S/C25H30N4O5/c1-18-2-4-19(5-3-18)24(31)26-21-16-20(25(32)33)6-7-22(21)28-10-8-27(9-11-28)17-23(30)29-12-14-34-15-13-29/h2-7,16H,8-15,17H2,1H3,(H,26,31)(H,32,33)