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

Systemtic Name: (2R)-2-(butylazaniumyl)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(butylammonio)-4-(4-methoxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(butylammonio)-4-(4-methoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(butylazaniumyl)-4-(4-methoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(butylammonio)-4-keto-4-(p-anisidino)butyrate Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-3-4-9-16-13(15(19)20)10-14(18)17-11-5-7-12(21-2)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1