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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]propanoate Openeye Name: 2-[[3-(4-methoxyphenyl)-3-oxo-propyl]ammonio]propanoate CAS Name: 2-[[3-(4-methoxyphenyl)-3-oxopropyl]ammonio]propanoate IUPAC Name: 2-[[3-(4-methoxyphenyl)-3-oxopropyl]azaniumyl]propanoate Traditional Name: 2-[[3-keto-3-(4-methoxyphenyl)propyl]ammonio]propionate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH2+]CCC(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CC(C(=O)[O-])[NH2+]CCC(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C13H17NO4/c1-9(13(16)17)14-8-7-12(15)10-3-5-11(18-2)6-4-10/h3-6,9,14H,7-8H2,1-2H3,(H,16,17)