3-(aminomethyl)-2-fluoranyl-4-oxidanylidene-2-propan-2-yloxy-3-(4-thiophen-3-ylphenyl)-4-[4-(trifluoromethyl)phenyl]butanoic acid

Systemtic Name: 3-(aminomethyl)-2-fluoranyl-4-oxidanylidene-2-propan-2-yloxy-3-(4-thiophen-3-ylphenyl)-4-[4-(trifluoromethyl)phenyl]butanoic acid Openeye Name: 3-(aminomethyl)-2-fluoro-2-isopropoxy-4-oxo-3-[4-(3-thienyl)phenyl]-4-[4-(trifluoromethyl)phenyl]butanoic acid CAS Name: 3-(aminomethyl)-2-fluoro-4-oxo-2-propan-2-yloxy-3-[4-(3-thiophenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]butanoic acid IUPAC Name: 3-(aminomethyl)-2-fluoro-4-oxo-2-propan-2-yloxy-3-(4-thiophen-3-ylphenyl)-4-[4-(trifluoromethyl)phenyl]butanoic acid Traditional Name: 3-(aminomethyl)-2-fluoro-2-isopropoxy-4-keto-3-[4-(3-thienyl)phenyl]-4-[4-(trifluoromethyl)phenyl]butyric acid Formula: C25H23F4NO4S MolecularWeight: 509.513033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(C(=O)O)(C(CN)(C1=CC=C(C=C1)C2=CSC=C2)C(=O)C3=CC=C(C=C3)C(F)(F)F)F

Isomeric SMILES

CC(C)OC(C(=O)O)(C(CN)(C1=CC=C(C=C1)C2=CSC=C2)C(=O)C3=CC=C(C=C3)C(F)(F)F)F

InChI

InChI=1S/C25H23F4NO4S/c1-15(2)34-24(26,22(32)33)23(14-30,19-7-3-16(4-8-19)18-11-12-35-13-18)21(31)17-5-9-20(10-6-17)25(27,28)29/h3-13,15H,14,30H2,1-2H3,(H,32,33)