(2R)-2-(dimethylazaniumyl)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(dimethylazaniumyl)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(dimethylammonio)-4-(4-methoxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(dimethylammonio)-4-(4-methoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(dimethylazaniumyl)-4-(4-methoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(dimethylammonio)-4-keto-4-(p-anisidino)butyrate Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC(=O)NC1=CC=C(C=C1)OC)C(=O)[O-]

Isomeric SMILES

C[NH+](C)[C@H](CC(=O)NC1=CC=C(C=C1)OC)C(=O)[O-]

InChI

InChI=1S/C13H18N2O4/c1-15(2)11(13(17)18)8-12(16)14-9-4-6-10(19-3)7-5-9/h4-7,11H,8H2,1-3H3,(H,14,16)(H,17,18)/t11-/m1/s1