(2R)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate Openeye Name: (2R)-4-(2-methoxyanilino)-4-oxo-2-(phenethylammonio)butanoate CAS Name: (2R)-4-(2-methoxyanilino)-4-oxo-2-(phenethylammonio)butanoate IUPAC Name: (2R)-4-(2-methoxyanilino)-4-oxo-2-(phenethylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-(o-anisidino)-2-(phenethylammonio)butyrate Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O4/c1-25-17-10-6-5-9-15(17)21-18(22)13-16(19(23)24)20-12-11-14-7-3-2-4-8-14/h2-10,16,20H,11-13H2,1H3,(H,21,22)(H,23,24)/t16-/m1/s1