4-[[3-[(1R)-1-oxidanylethyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[(1R)-1-oxidanylethyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[3-[(1R)-1-hydroxyethyl]anilino]-4-oxo-butanoate CAS Name: 4-[3-[(1R)-1-hydroxyethyl]anilino]-4-oxobutanoate IUPAC Name: 4-[3-[(1R)-1-hydroxyethyl]anilino]-4-oxobutanoate Traditional Name: 4-[3-[(1R)-1-hydroxyethyl]anilino]-4-keto-butyrate Formula: C12H14NO4- MolecularWeight: 236.24386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)CCC(=O)[O-])O

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)NC(=O)CCC(=O)[O-])O

InChI

InChI=1S/C12H15NO4/c1-8(14)9-3-2-4-10(7-9)13-11(15)5-6-12(16)17/h2-4,7-8,14H,5-6H2,1H3,(H,13,15)(H,16,17)/p-1/t8-/m1/s1