(3S)-3-azaniumyl-3-(3-ethoxy-4-propoxy-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3-ethoxy-4-propoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3-ethoxy-4-propoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-ethoxy-4-propoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-ethoxy-4-propoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3-ethoxy-4-propoxy-phenyl)propionate Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(CC(=O)[O-])[NH3+])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H](CC(=O)[O-])[NH3+])OCC

InChI

InChI=1S/C14H21NO4/c1-3-7-19-12-6-5-10(8-13(12)18-4-2)11(15)9-14(16)17/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H,16,17)/t11-/m0/s1