4-[[3-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-4-methoxy-phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-4-methoxy-phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[(2-chloro-6-fluoro-phenyl)methoxy]-4-methoxy-phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-(2-chloro-6-fluoro-benzyl)oxy-4-methoxy-benzyl]amino]-4-keto-butyric acid Formula: C19H19ClFNO5 MolecularWeight: 395.809263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC(=O)O)OCC2=C(C=CC=C2Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC(=O)O)OCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C19H19ClFNO5/c1-26-16-6-5-12(10-22-18(23)7-8-19(24)25)9-17(16)27-11-13-14(20)3-2-4-15(13)21/h2-6,9H,7-8,10-11H2,1H3,(H,22,23)(H,24,25)