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

Systemtic Name: 2-[4-(4-methylpentan-2-yl)piperazin-1-yl]-5-[(3-methylphenyl)carbonylamino]benzoic acid Openeye Name: 2-[4-(1,3-dimethylbutyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid CAS Name: 2-[4-(4-methylpentan-2-yl)-1-piperazinyl]-5-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 5-[(3-methylbenzoyl)amino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(1,3-dimethylbutyl)piperazino]-5-(m-toluoylamino)benzoic acid Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-17(2)14-19(4)27-10-12-28(13-11-27)23-9-8-21(16-22(23)25(30)31)26-24(29)20-7-5-6-18(3)15-20/h5-9,15-17,19H,10-14H2,1-4H3,(H,26,29)(H,30,31)