(4-fluorophenyl)methyl 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: (4-fluorophenyl)methyl 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoate Openeye Name: (4-fluorophenyl)methyl 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoate CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propionic acid (4-fluorobenzyl) ester Formula: C18H20FNO3 MolecularWeight: 317.354703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)OCC2=CC=C(C=C2)F)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)OCC2=CC=C(C=C2)F)N)C)O

InChI

InChI=1S/C18H20FNO3/c1-11-7-15(21)8-12(2)16(11)9-17(20)18(22)23-10-13-3-5-14(19)6-4-13/h3-8,17,21H,9-10,20H2,1-2H3