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

Systemtic Name: (2R)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate Openeye Name: (2R)-4-(4-methoxyanilino)-4-oxo-2-(pentylammonio)butanoate CAS Name: (2R)-4-(4-methoxyanilino)-4-oxo-2-(pentylammonio)butanoate IUPAC Name: (2R)-4-(4-methoxyanilino)-4-oxo-2-(pentylazaniumyl)butanoate Traditional Name: (2R)-2-(amylammonio)-4-keto-4-(p-anisidino)butyrate Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-3-4-5-10-17-14(16(20)21)11-15(19)18-12-6-8-13(22-2)9-7-12/h6-9,14,17H,3-5,10-11H2,1-2H3,(H,18,19)(H,20,21)/t14-/m1/s1