(3S)-3-azanyl-4-[[4-octoxy-3-(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[4-octoxy-3-(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[4-octoxy-3-(trifluoromethyl)anilino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[4-octoxy-3-(trifluoromethyl)anilino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[4-octoxy-3-(trifluoromethyl)anilino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-keto-4-[4-octoxy-3-(trifluoromethyl)anilino]butyric acid Formula: C19H27F3N2O4 MolecularWeight: 404.42389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)C(CC(=O)O)N)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)[C@H](CC(=O)O)N)C(F)(F)F

InChI

InChI=1S/C19H27F3N2O4/c1-2-3-4-5-6-7-10-28-16-9-8-13(11-14(16)19(20,21)22)24-18(27)15(23)12-17(25)26/h8-9,11,15H,2-7,10,12,23H2,1H3,(H,24,27)(H,25,26)/t15-/m0/s1