2-[5-aminocarbonyl-9-[[4-(trifluoromethyl)thiophen-2-yl]methyl]carbazol-4-yl]oxyethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[[4-(trifluoromethyl)thiophen-2-yl]methyl]carbazol-4-yl]oxyethanoic acid Openeye Name: 2-[5-carbamoyl-9-[[4-(trifluoromethyl)-2-thienyl]methyl]carbazol-4-yl]oxyacetic acid CAS Name: 2-[[5-carbamoyl-9-[[4-(trifluoromethyl)-2-thiophenyl]methyl]-4-carbazolyl]oxy]acetic acid IUPAC Name: 2-[5-carbamoyl-9-[[4-(trifluoromethyl)thiophen-2-yl]methyl]carbazol-4-yl]oxyacetic acid Traditional Name: 2-[5-carbamoyl-9-[[4-(trifluoromethyl)-2-thienyl]methyl]carbazol-4-yl]oxyacetic acid Formula: C21H15F3N2O4S MolecularWeight: 448.41501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15F3N2O4S/c22-21(23,24)11-7-12(31-10-11)8-26-14-4-1-3-13(20(25)29)18(14)19-15(26)5-2-6-16(19)30-9-17(27)28/h1-7,10H,8-9H2,(H2,25,29)(H,27,28)