(2R)-4-[(2,3-dimethylphenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2,3-dimethylphenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,3-dimethylanilino)-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,3-dimethylanilino)-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,3-dimethylanilino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,3-dimethylanilino)-2-(2-furfurylammonio)-4-keto-butyrate Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CO2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CO2)C

InChI

InChI=1S/C17H20N2O4/c1-11-5-3-7-14(12(11)2)19-16(20)9-15(17(21)22)18-10-13-6-4-8-23-13/h3-8,15,18H,9-10H2,1-2H3,(H,19,20)(H,21,22)/t15-/m1/s1