(3S)-4-(diphenylamino)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (3S)-4-(diphenylamino)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (3S)-3-(2-furylmethylammonio)-4-oxo-4-(N-phenylanilino)butanoate CAS Name: (3S)-3-(2-furanylmethylammonio)-4-oxo-4-(N-phenylanilino)butanoate IUPAC Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-oxo-4-(N-phenylanilino)butanoate Traditional Name: (3S)-3-(2-furfurylammonio)-4-keto-4-(N-phenylanilino)butyrate Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c24-20(25)14-19(22-15-18-12-7-13-27-18)21(26)23(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,19,22H,14-15H2,(H,24,25)/t19-/m0/s1