(2R)-4-[(2,5-dimethoxyphenyl)amino]-2-(2-methoxyethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2,5-dimethoxyphenyl)amino]-2-(2-methoxyethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,5-dimethoxyanilino)-2-(2-methoxyethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,5-dimethoxyanilino)-2-(2-methoxyethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,5-dimethoxyanilino)-2-(2-methoxyethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,5-dimethoxyanilino)-4-keto-2-(2-methoxyethylammonio)butyrate Formula: C15H22N2O6 MolecularWeight: 326.34498

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH2+]C(CC(=O)NC1=C(C=CC(=C1)OC)OC)C(=O)[O-]

Isomeric SMILES

COCC[NH2+][C@H](CC(=O)NC1=C(C=CC(=C1)OC)OC)C(=O)[O-]

InChI

InChI=1S/C15H22N2O6/c1-21-7-6-16-12(15(19)20)9-14(18)17-11-8-10(22-2)4-5-13(11)23-3/h4-5,8,12,16H,6-7,9H2,1-3H3,(H,17,18)(H,19,20)/t12-/m1/s1