(2R)-2-azaniumyl-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-azaniumyl-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-azaniumyl-4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: (2R)-2-ammonio-4-(4-ethoxyphenyl)-4-oxobutanoate IUPAC Name: (2R)-2-azaniumyl-4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: (2R)-2-ammonio-4-keto-4-p-phenetyl-butyrate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H15NO4/c1-2-17-9-5-3-8(4-6-9)11(14)7-10(13)12(15)16/h3-6,10H,2,7,13H2,1H3,(H,15,16)/t10-/m1/s1