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

Systemtic Name: (2R)-2-(cyclopentylazaniumyl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: (2R)-2-(cyclopentylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: (2R)-2-(cyclopentylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate IUPAC Name: (2R)-2-(cyclopentylazaniumyl)-4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: (2R)-2-(cyclopentylammonio)-4-keto-4-(4-phenoxyanilino)butyrate Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH2+]C(CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH2+][C@H](CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H24N2O4/c24-20(14-19(21(25)26)22-15-6-4-5-7-15)23-16-10-12-18(13-11-16)27-17-8-2-1-3-9-17/h1-3,8-13,15,19,22H,4-7,14H2,(H,23,24)(H,25,26)/t19-/m1/s1