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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-[(3-methylphenyl)carbonylamino]benzoic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-5-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-5-(m-toluoylamino)benzoic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4/c1-18-4-3-5-21(16-18)26(32)28-22-8-11-25(24(17-22)27(33)34)30-14-12-29(13-15-30)23-9-6-20(7-10-23)19(2)31/h3-11,16-17H,12-15H2,1-2H3,(H,28,32)(H,33,34)