2-[(3-fluoranyl-4-methoxy-phenyl)methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylamino]-3-methyl-butanoic acid Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)amino]-3-methyl-butyric acid Formula: C13H18FNO3 MolecularWeight: 255.285323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CC(=C(C=C1)OC)F

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C13H18FNO3/c1-8(2)12(13(16)17)15-7-9-4-5-11(18-3)10(14)6-9/h4-6,8,12,15H,7H2,1-3H3,(H,16,17)