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

Systemtic Name: (2R)-2-(furan-2-ylmethylazaniumyl)-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-furylmethylammonio)-4-(3-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-furanylmethylammonio)-4-(3-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(furan-2-ylmethylazaniumyl)-4-(3-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-furfurylammonio)-4-keto-4-(m-toluidino)butyrate Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-11-4-2-5-12(8-11)18-15(19)9-14(16(20)21)17-10-13-6-3-7-22-13/h2-8,14,17H,9-10H2,1H3,(H,18,19)(H,20,21)/t14-/m1/s1