3-[(2-methylphenyl)carbonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(2-methylphenyl)carbonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(2-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(2-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-methylpiperazino)-3-(o-toluoylamino)benzoic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C

InChI

InChI=1S/C20H23N3O3/c1-14-5-3-4-6-16(14)19(24)21-17-13-15(20(25)26)7-8-18(17)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)(H,25,26)