3-oxidanyl-2-[[3-oxidanylidene-3-(4-propoxyphenyl)propyl]azaniumyl]propanoate

Systemtic Name: 3-oxidanyl-2-[[3-oxidanylidene-3-(4-propoxyphenyl)propyl]azaniumyl]propanoate Openeye Name: 3-hydroxy-2-[[3-oxo-3-(4-propoxyphenyl)propyl]ammonio]propanoate CAS Name: 3-hydroxy-2-[[3-oxo-3-(4-propoxyphenyl)propyl]ammonio]propanoate IUPAC Name: 3-hydroxy-2-[[3-oxo-3-(4-propoxyphenyl)propyl]azaniumyl]propanoate Traditional Name: 3-hydroxy-2-[[3-keto-3-(4-propoxyphenyl)propyl]ammonio]propionate Formula: C15H21NO5 MolecularWeight: 295.33094

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(CO)C(=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(CO)C(=O)[O-]

InChI

InChI=1S/C15H21NO5/c1-2-9-21-12-5-3-11(4-6-12)14(18)7-8-16-13(10-17)15(19)20/h3-6,13,16-17H,2,7-10H2,1H3,(H,19,20)