2-[5-aminocarbonyl-9-[[4-(trifluoromethyl)thiophen-2-yl]methyl]carbazol-4-yl]oxy-3-oxidanyl-propanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[[4-(trifluoromethyl)thiophen-2-yl]methyl]carbazol-4-yl]oxy-3-oxidanyl-propanoic acid Openeye Name: 2-[5-carbamoyl-9-[[4-(trifluoromethyl)-2-thienyl]methyl]carbazol-4-yl]oxy-3-hydroxy-propanoic acid CAS Name: 2-[[5-carbamoyl-9-[[4-(trifluoromethyl)-2-thiophenyl]methyl]-4-carbazolyl]oxy]-3-hydroxypropanoic acid IUPAC Name: 2-[5-carbamoyl-9-[[4-(trifluoromethyl)thiophen-2-yl]methyl]carbazol-4-yl]oxy-3-hydroxypropanoic acid Traditional Name: 2-[5-carbamoyl-9-[[4-(trifluoromethyl)-2-thienyl]methyl]carbazol-4-yl]oxy-3-hydroxy-propionic acid Formula: C22H17F3N2O5S MolecularWeight: 478.44099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N(C3=C2C(=CC=C3)OC(CO)C(=O)O)CC4=CC(=CS4)C(F)(F)F)C(=O)N

Isomeric SMILES

C1=CC(=C2C(=C1)N(C3=C2C(=CC=C3)OC(CO)C(=O)O)CC4=CC(=CS4)C(F)(F)F)C(=O)N

InChI

InChI=1S/C22H17F3N2O5S/c23-22(24,25)11-7-12(33-10-11)8-27-14-4-1-3-13(20(26)29)18(14)19-15(27)5-2-6-16(19)32-17(9-28)21(30)31/h1-7,10,17,28H,8-9H2,(H2,26,29)(H,30,31)