(2R)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(5-chloro-2-methoxy-anilino)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(5-chloro-2-methoxyanilino)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(5-chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(5-chloro-2-methoxy-anilino)-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CN=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CN=CC=C2

InChI

InChI=1S/C17H18ClN3O4/c1-25-15-5-4-12(18)7-13(15)21-16(22)8-14(17(23)24)20-10-11-3-2-6-19-9-11/h2-7,9,14,20H,8,10H2,1H3,(H,21,22)(H,23,24)/t14-/m1/s1