4-[5-azanyl-3-methyl-4-[3-(trifluoromethyl)phenyl]carbonyl-thiophen-2-yl]butanoic acid

Systemtic Name: 4-[5-azanyl-3-methyl-4-[3-(trifluoromethyl)phenyl]carbonyl-thiophen-2-yl]butanoic acid Openeye Name: 4-[5-amino-3-methyl-4-[3-(trifluoromethyl)benzoyl]-2-thienyl]butanoic acid CAS Name: 4-[5-amino-3-methyl-4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-2-thiophenyl]butanoic acid IUPAC Name: 4-[5-amino-3-methyl-4-[3-(trifluoromethyl)benzoyl]thiophen-2-yl]butanoic acid Traditional Name: 4-[5-amino-3-methyl-4-[3-(trifluoromethyl)benzoyl]-2-thienyl]butyric acid Formula: C17H16F3NO3S MolecularWeight: 371.37405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)C2=CC(=CC=C2)C(F)(F)F)N)CCCC(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)C2=CC(=CC=C2)C(F)(F)F)N)CCCC(=O)O

InChI

InChI=1S/C17H16F3NO3S/c1-9-12(6-3-7-13(22)23)25-16(21)14(9)15(24)10-4-2-5-11(8-10)17(18,19)20/h2,4-5,8H,3,6-7,21H2,1H3,(H,22,23)