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

Systemtic Name: 2-(butylazaniumyl)-4-[(2,4-dimethoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 2-(butylammonio)-4-(2,4-dimethoxyanilino)-4-oxo-butanoate CAS Name: 2-(butylammonio)-4-(2,4-dimethoxyanilino)-4-oxobutanoate IUPAC Name: 2-(butylazaniumyl)-4-(2,4-dimethoxyanilino)-4-oxobutanoate Traditional Name: 2-(butylammonio)-4-(2,4-dimethoxyanilino)-4-keto-butyrate Formula: C16H24N2O5 MolecularWeight: 324.37216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O5/c1-4-5-8-17-13(16(20)21)10-15(19)18-12-7-6-11(22-2)9-14(12)23-3/h6-7,9,13,17H,4-5,8,10H2,1-3H3,(H,18,19)(H,20,21)