(2R)-2-(butylazaniumyl)-4-[(3-fluorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(butylazaniumyl)-4-[(3-fluorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(butylammonio)-4-(3-fluoroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(butylammonio)-4-(3-fluoroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(butylazaniumyl)-4-(3-fluoroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(butylammonio)-4-(3-fluoroanilino)-4-keto-butyrate Formula: C14H19FN2O3 MolecularWeight: 282.310663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19FN2O3/c1-2-3-7-16-12(14(19)20)9-13(18)17-11-6-4-5-10(15)8-11/h4-6,8,12,16H,2-3,7,9H2,1H3,(H,17,18)(H,19,20)/t12-/m1/s1