(2S)-4-azanyl-2-(4-hexoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-azanyl-2-(4-hexoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-amino-2-(4-hexoxyphenyl)-4-oxo-butanoate CAS Name: (2S)-4-amino-2-(4-hexoxyphenyl)-4-oxobutanoate IUPAC Name: (2S)-4-amino-2-(4-hexoxyphenyl)-4-oxobutanoate Traditional Name: (2S)-4-amino-2-(4-hexoxyphenyl)-4-keto-butyrate Formula: C16H22NO4- MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(CC(=O)N)C(=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[C@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C16H23NO4/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(16(19)20)11-15(17)18/h6-9,14H,2-5,10-11H2,1H3,(H2,17,18)(H,19,20)/p-1/t14-/m0/s1