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

Systemtic Name: (2R)-4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate Openeye Name: (2R)-2-(allylammonio)-4-(2,5-dimethoxyanilino)-4-oxo-butanoate CAS Name: (2R)-4-(2,5-dimethoxyanilino)-4-oxo-2-(prop-2-enylammonio)butanoate IUPAC Name: (2R)-4-(2,5-dimethoxyanilino)-4-oxo-2-(prop-2-enylazaniumyl)butanoate Traditional Name: (2R)-2-(allylammonio)-4-(2,5-dimethoxyanilino)-4-keto-butyrate Formula: C15H20N2O5 MolecularWeight: 308.3297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CC(C(=O)[O-])[NH2+]CC=C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC=C

InChI

InChI=1S/C15H20N2O5/c1-4-7-16-12(15(19)20)9-14(18)17-11-8-10(21-2)5-6-13(11)22-3/h4-6,8,12,16H,1,7,9H2,2-3H3,(H,17,18)(H,19,20)/t12-/m1/s1