1-[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid Openeye Name: 1-[4-[2-(4-methylpiperazin-1-yl)thiazol-4-yl]phenoxy]cyclohexanecarboxylic acid CAS Name: 1-[4-[2-(4-methyl-1-piperazinyl)-4-thiazolyl]phenoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid Traditional Name: 1-[4-[2-(4-methylpiperazino)thiazol-4-yl]phenoxy]cyclohexanecarboxylic acid Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)OC4(CCCCC4)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)OC4(CCCCC4)C(=O)O

InChI

InChI=1S/C21H27N3O3S/c1-23-11-13-24(14-12-23)20-22-18(15-28-20)16-5-7-17(8-6-16)27-21(19(25)26)9-3-2-4-10-21/h5-8,15H,2-4,9-14H2,1H3,(H,25,26)