5-[4-[2-(hydroxymethyl)piperidin-1-yl]butylcarbamoylamino]-3-[[2,3,6-tris(fluoranyl)-4-methyl-phenyl]methoxy]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[4-[2-(hydroxymethyl)piperidin-1-yl]butylcarbamoylamino]-3-[[2,3,6-tris(fluoranyl)-4-methyl-phenyl]methoxy]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-[4-[2-(hydroxymethyl)-1-piperidyl]butylcarbamoylamino]-3-[(2,3,6-trifluoro-4-methyl-phenyl)methoxy]isothiazole-4-carboxylic acid CAS Name: 5-[[[4-[2-(hydroxymethyl)-1-piperidinyl]butylamino]-oxomethyl]amino]-3-[(2,3,6-trifluoro-4-methylphenyl)methoxy]-4-isothiazolecarboxylic acid IUPAC Name: 5-[4-[2-(hydroxymethyl)piperidin-1-yl]butylcarbamoylamino]-3-[(2,3,6-trifluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-[4-(2-methylolpiperidino)butylcarbamoylamino]-3-(2,3,6-trifluoro-4-methyl-benzyl)oxy-isothiazole-4-carboxylic acid Formula: C23H29F3N4O5S MolecularWeight: 530.56037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1F)F)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCN3CCCCC3CO)F

Isomeric SMILES

CC1=CC(=C(C(=C1F)F)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCN3CCCCC3CO)F

InChI

InChI=1S/C23H29F3N4O5S/c1-13-10-16(24)15(19(26)18(13)25)12-35-20-17(22(32)33)21(36-29-20)28-23(34)27-7-3-5-9-30-8-4-2-6-14(30)11-31/h10,14,31H,2-9,11-12H2,1H3,(H,32,33)(H2,27,28,34)