(2R)-2-(furan-2-ylmethylazaniumyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(furan-2-ylmethylazaniumyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-furylmethylammonio)-4-oxo-4-(p-tolyl)butanoate CAS Name: (2R)-2-(2-furanylmethylammonio)-4-(4-methylphenyl)-4-oxobutanoate IUPAC Name: (2R)-2-(furan-2-ylmethylazaniumyl)-4-(4-methylphenyl)-4-oxobutanoate Traditional Name: (2R)-2-(2-furfurylammonio)-4-keto-4-(p-tolyl)butyrate Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-11-4-6-12(7-5-11)15(18)9-14(16(19)20)17-10-13-3-2-8-21-13/h2-8,14,17H,9-10H2,1H3,(H,19,20)/t14-/m1/s1