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

Systemtic Name: (2R)-2-(butylazaniumyl)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(butylammonio)-4-(5-chloro-2-methoxy-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(butylammonio)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(butylazaniumyl)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(butylammonio)-4-(5-chloro-2-methoxy-anilino)-4-keto-butyrate Formula: C15H21ClN2O4 MolecularWeight: 328.79124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)[O-]

Isomeric SMILES

CCCC[NH2+][C@H](CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)[O-]

InChI

InChI=1S/C15H21ClN2O4/c1-3-4-7-17-12(15(20)21)9-14(19)18-11-8-10(16)5-6-13(11)22-2/h5-6,8,12,17H,3-4,7,9H2,1-2H3,(H,18,19)(H,20,21)/t12-/m1/s1