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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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