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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-18-6-5-7-19(16-18)24(29)26-22-17-20(25(30)31)10-11-23(22)28-14-12-27(13-15-28)21-8-3-2-4-9-21/h5-7,10-11,16-17,21H,2-4,8-9,12-15H2,1H3,(H,26,29)(H,30,31)