4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methylphenyl)carbonylamino]benzoic acid

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methylphenyl)carbonylamino]benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methylbenzoyl)amino]benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-[[(4-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methylbenzoyl)amino]benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-(p-toluoylamino)benzoic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C25H31N3O3/c1-18-7-9-19(10-8-18)24(29)26-22-17-20(25(30)31)11-12-23(22)28-15-13-27(14-16-28)21-5-3-2-4-6-21/h7-12,17,21H,2-6,13-16H2,1H3,(H,26,29)(H,30,31)