(2R)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate Openeye Name: (2R)-4-(5-chloro-2-methoxy-anilino)-4-oxo-2-(phenethylammonio)butanoate CAS Name: (2R)-4-(5-chloro-2-methoxyanilino)-4-oxo-2-(phenethylammonio)butanoate IUPAC Name: (2R)-4-(5-chloro-2-methoxyanilino)-4-oxo-2-(phenethylazaniumyl)butanoate Traditional Name: (2R)-4-(5-chloro-2-methoxy-anilino)-4-keto-2-(phenethylammonio)butyrate Formula: C19H21ClN2O4 MolecularWeight: 376.83404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)[O-])[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C19H21ClN2O4/c1-26-17-8-7-14(20)11-15(17)22-18(23)12-16(19(24)25)21-10-9-13-5-3-2-4-6-13/h2-8,11,16,21H,9-10,12H2,1H3,(H,22,23)(H,24,25)/t16-/m1/s1