(3R)-3-azaniumyl-4-oxidanylidene-4-phenylmethoxy-butanoate

Systemtic Name: (3R)-3-azaniumyl-4-oxidanylidene-4-phenylmethoxy-butanoate Openeye Name: (3R)-3-azaniumyl-4-benzyloxy-4-oxo-butanoate CAS Name: (3R)-3-ammonio-4-oxo-4-phenylmethoxybutanoate IUPAC Name: (3R)-3-azaniumyl-4-oxo-4-phenylmethoxybutanoate Traditional Name: (3R)-3-ammonio-4-benzoxy-4-keto-butyrate Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c12-9(6-10(13)14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m1/s1