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

Systemtic Name: (2R)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-(5-chloro-2-methoxy-anilino)-4-oxo-butanoate CAS Name: (2R)-4-(5-chloro-2-methoxyanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-(5-chloro-2-methoxy-anilino)-4-keto-butyrate Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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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=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O4/c1-25-16-8-7-13(19)9-14(16)21-17(22)10-15(18(23)24)20-11-12-5-3-2-4-6-12/h2-9,15,20H,10-11H2,1H3,(H,21,22)(H,23,24)/t15-/m1/s1