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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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