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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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