(2R)-4-[(2-ethyl-6-methyl-phenyl)amino]-2-(2-hydroxyethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2-ethyl-6-methyl-phenyl)amino]-2-(2-hydroxyethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-ethyl-6-methyl-anilino)-2-(2-hydroxyethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-ethyl-6-methylanilino)-2-(2-hydroxyethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-ethyl-6-methylanilino)-2-(2-hydroxyethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-ethyl-6-methyl-anilino)-2-(2-hydroxyethylammonio)-4-keto-butyrate Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CC(C(=O)[O-])[NH2+]CCO)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCO)C

InChI

InChI=1S/C15H22N2O4/c1-3-11-6-4-5-10(2)14(11)17-13(19)9-12(15(20)21)16-7-8-18/h4-6,12,16,18H,3,7-9H2,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1