(3S)-3-azaniumyl-3-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]propanoate CAS Name: (3S)-3-ammonio-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]propanoate Traditional Name: (3S)-3-ammonio-3-[4-(4-fluorobenzyl)oxy-3-methoxy-phenyl]propionate Formula: C17H18FNO4 MolecularWeight: 319.327523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)[O-])[NH3+])OCC2=CC=C(C=C2)F

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](CC(=O)[O-])[NH3+])OCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H18FNO4/c1-22-16-8-12(14(19)9-17(20)21)4-7-15(16)23-10-11-2-5-13(18)6-3-11/h2-8,14H,9-10,19H2,1H3,(H,20,21)/t14-/m0/s1