(3S)-3-azaniumyl-3-(3-methoxy-4-pentoxy-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3-methoxy-4-pentoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3-methoxy-4-pentoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-methoxy-4-pentoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-methoxy-4-pentoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(4-amoxy-3-methoxy-phenyl)propionate Formula: C15H23NO4 MolecularWeight: 281.34742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C(CC(=O)[O-])[NH3+])OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)[C@H](CC(=O)[O-])[NH3+])OC

InChI

InChI=1S/C15H23NO4/c1-3-4-5-8-20-13-7-6-11(9-14(13)19-2)12(16)10-15(17)18/h6-7,9,12H,3-5,8,10,16H2,1-2H3,(H,17,18)/t12-/m0/s1