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

Systemtic Name: (2R)-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: (2R)-2-(2-furylmethylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: (2R)-2-(2-furanylmethylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate IUPAC Name: (2R)-2-(furan-2-ylmethylazaniumyl)-4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: (2R)-2-(2-furfurylammonio)-4-keto-4-(4-phenoxyanilino)butyrate Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC(C(=O)[O-])[NH2+]CC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC3=CC=CO3

InChI

InChI=1S/C21H20N2O5/c24-20(13-19(21(25)26)22-14-18-7-4-12-27-18)23-15-8-10-17(11-9-15)28-16-5-2-1-3-6-16/h1-12,19,22H,13-14H2,(H,23,24)(H,25,26)/t19-/m1/s1