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

Systemtic Name: (2R)-2-(2-methoxyethylazaniumyl)-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-methoxyethylammonio)-4-(3-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-methoxyethylammonio)-4-(3-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-methoxyethylazaniumyl)-4-(3-methylanilino)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(2-methoxyethylammonio)-4-(m-toluidino)butyrate Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-10-4-3-5-11(8-10)16-13(17)9-12(14(18)19)15-6-7-20-2/h3-5,8,12,15H,6-7,9H2,1-2H3,(H,16,17)(H,18,19)/t12-/m1/s1