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

Systemtic Name: (2R)-4-oxidanylidene-2-(pentylazaniumyl)-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: (2R)-4-oxo-2-(pentylammonio)-4-(4-phenoxyanilino)butanoate CAS Name: (2R)-4-oxo-2-(pentylammonio)-4-(4-phenoxyanilino)butanoate IUPAC Name: (2R)-4-oxo-2-(pentylazaniumyl)-4-(4-phenoxyanilino)butanoate Traditional Name: (2R)-2-(amylammonio)-4-keto-4-(4-phenoxyanilino)butyrate Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-2-3-7-14-22-19(21(25)26)15-20(24)23-16-10-12-18(13-11-16)27-17-8-5-4-6-9-17/h4-6,8-13,19,22H,2-3,7,14-15H2,1H3,(H,23,24)(H,25,26)/t19-/m1/s1