3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-oxidanyl-propanoic acid

Systemtic Name: 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-oxidanyl-propanoic acid Openeye Name: 2-hydroxy-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoic acid CAS Name: 2-hydroxy-3-[4-methoxy-3-[oxo-[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propanoic acid IUPAC Name: 2-hydroxy-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoic acid Traditional Name: 2-hydroxy-3-[4-methoxy-3-[[4-(trifluoromethyl)benzyl]carbamoyl]phenyl]propionic acid Formula: C19H18F3NO5 MolecularWeight: 397.34513

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)O)O)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=O)O)O)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C19H18F3NO5/c1-28-16-7-4-12(9-15(24)18(26)27)8-14(16)17(25)23-10-11-2-5-13(6-3-11)19(20,21)22/h2-8,15,24H,9-10H2,1H3,(H,23,25)(H,26,27)