(2R)-2-(2-methylpropylazaniumyl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate

Systemtic Name: (2R)-2-(2-methylpropylazaniumyl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: (2R)-2-(isobutylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: (2R)-2-(2-methylpropylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate IUPAC Name: (2R)-2-(2-methylpropylazaniumyl)-4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: (2R)-2-(isobutylammonio)-4-keto-4-(4-phenoxyanilino)butyrate Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]C(CC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H24N2O4/c1-14(2)13-21-18(20(24)25)12-19(23)22-15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-11,14,18,21H,12-13H2,1-2H3,(H,22,23)(H,24,25)/t18-/m1/s1