2-[[3-(4-ethoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]ethanoate

Systemtic Name: 2-[[3-(4-ethoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]ethanoate Openeye Name: 2-[[3-(4-ethoxyphenyl)-3-oxo-propyl]ammonio]acetate CAS Name: 2-[[3-(4-ethoxyphenyl)-3-oxopropyl]ammonio]acetate IUPAC Name: 2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]acetate Traditional Name: 2-[(3-keto-3-p-phenetyl-propyl)ammonio]acetate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC[NH2+]CC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CC[NH2+]CC(=O)[O-]

InChI

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