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

Systemtic Name: 2-[[3-(4-ethoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-butanoate Openeye Name: 2-[[3-(4-ethoxyphenyl)-3-oxo-propyl]ammonio]-3-hydroxy-butanoate CAS Name: 2-[[3-(4-ethoxyphenyl)-3-oxopropyl]ammonio]-3-hydroxybutanoate IUPAC Name: 2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]-3-hydroxybutanoate Traditional Name: 3-hydroxy-2-[(3-keto-3-p-phenetyl-propyl)ammonio]butyrate Formula: C15H21NO5 MolecularWeight: 295.33094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5/c1-3-21-12-6-4-11(5-7-12)13(18)8-9-16-14(10(2)17)15(19)20/h4-7,10,14,16-17H,3,8-9H2,1-2H3,(H,19,20)