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

Systemtic Name: (2R)-4-[(2,4-dimethoxyphenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,4-dimethoxyanilino)-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,4-dimethoxyanilino)-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,4-dimethoxyanilino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,4-dimethoxyanilino)-2-(2-furfurylammonio)-4-keto-butyrate Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CO2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CO2)OC

InChI

InChI=1S/C17H20N2O6/c1-23-11-5-6-13(15(8-11)24-2)19-16(20)9-14(17(21)22)18-10-12-4-3-7-25-12/h3-8,14,18H,9-10H2,1-2H3,(H,19,20)(H,21,22)/t14-/m1/s1