(2R)-4-[(2-ethyl-6-methyl-phenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2-ethyl-6-methyl-phenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-ethyl-6-methyl-anilino)-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-ethyl-6-methylanilino)-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-ethyl-6-methylanilino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-ethyl-6-methyl-anilino)-2-(2-furfurylammonio)-4-keto-butyrate Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CO2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CO2)C

InChI

InChI=1S/C18H22N2O4/c1-3-13-7-4-6-12(2)17(13)20-16(21)10-15(18(22)23)19-11-14-8-5-9-24-14/h4-9,15,19H,3,10-11H2,1-2H3,(H,20,21)(H,22,23)/t15-/m1/s1