4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(2-methylphenyl)carbonylamino]benzoic acid

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(2-methylphenyl)carbonylamino]benzoic acid Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(2-methylbenzoyl)amino]benzoic acid CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[[(2-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(2-methylbenzoyl)amino]benzoic acid Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-3-(o-toluoylamino)benzoic acid Formula: C27H29N3O3 MolecularWeight: 443.53746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C27H29N3O3/c1-18-8-9-20(3)25(16-18)30-14-12-29(13-15-30)24-11-10-21(27(32)33)17-23(24)28-26(31)22-7-5-4-6-19(22)2/h4-11,16-17H,12-15H2,1-3H3,(H,28,31)(H,32,33)