(2R)-4-(4-ethoxyphenyl)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (2R)-4-(4-ethoxyphenyl)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: (2R)-4-(4-ethoxyphenyl)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-keto-4-p-phenetyl-butyrate Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C19H21NO4/c1-2-24-16-10-8-15(9-11-16)18(21)12-17(19(22)23)20-13-14-6-4-3-5-7-14/h3-11,17,20H,2,12-13H2,1H3,(H,22,23)/t17-/m1/s1