(3-fluoranyl-4-methoxy-phenyl)methyl 3-[(4-oxidanylidene-4-phenyl-butanoyl)amino]propanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-[(4-oxidanylidene-4-phenyl-butanoyl)amino]propanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-[(4-oxo-4-phenyl-butanoyl)amino]propanoate CAS Name: 3-[(1,4-dioxo-4-phenylbutyl)amino]propanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate Traditional Name: 3-[(4-keto-4-phenyl-butanoyl)amino]propionic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H22FNO5 MolecularWeight: 387.401483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CCNC(=O)CCC(=O)C2=CC=CC=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CCNC(=O)CCC(=O)C2=CC=CC=C2)F

InChI

InChI=1S/C21H22FNO5/c1-27-19-9-7-15(13-17(19)22)14-28-21(26)11-12-23-20(25)10-8-18(24)16-5-3-2-4-6-16/h2-7,9,13H,8,10-12,14H2,1H3,(H,23,25)