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

Systemtic Name: (2R)-4-[(2,4-dimethoxyphenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate Openeye Name: (2R)-4-(2,4-dimethoxyanilino)-4-oxo-2-(propylammonio)butanoate CAS Name: (2R)-4-(2,4-dimethoxyanilino)-4-oxo-2-(propylammonio)butanoate IUPAC Name: (2R)-4-(2,4-dimethoxyanilino)-4-oxo-2-(propylazaniumyl)butanoate Traditional Name: (2R)-4-(2,4-dimethoxyanilino)-4-keto-2-(propylammonio)butyrate Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5/c1-4-7-16-12(15(19)20)9-14(18)17-11-6-5-10(21-2)8-13(11)22-3/h5-6,8,12,16H,4,7,9H2,1-3H3,(H,17,18)(H,19,20)/t12-/m1/s1