(2R)-4-[(2,6-diethylphenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2,6-diethylphenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,6-diethylanilino)-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,6-diethylanilino)-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,6-diethylanilino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,6-diethylanilino)-2-(2-furfurylammonio)-4-keto-butyrate Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C19H24N2O4/c1-3-13-7-5-8-14(4-2)18(13)21-17(22)11-16(19(23)24)20-12-15-9-6-10-25-15/h5-10,16,20H,3-4,11-12H2,1-2H3,(H,21,22)(H,23,24)/t16-/m1/s1