5-[(4-methylphenyl)carbonylamino]-2-(4-phenylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(4-methylphenyl)carbonylamino]-2-(4-phenylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(4-methylbenzoyl)amino]-2-(4-phenylpiperazin-1-yl)benzoic acid CAS Name: 5-[[(4-methylphenyl)-oxomethyl]amino]-2-(4-phenyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(4-methylbenzoyl)amino]-2-(4-phenylpiperazin-1-yl)benzoic acid Traditional Name: 2-(4-phenylpiperazino)-5-(p-toluoylamino)benzoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H25N3O3/c1-18-7-9-19(10-8-18)24(29)26-20-11-12-23(22(17-20)25(30)31)28-15-13-27(14-16-28)21-5-3-2-4-6-21/h2-12,17H,13-16H2,1H3,(H,26,29)(H,30,31)