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

Systemtic Name: (2R)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-oxo-4-(4-phenoxyanilino)butanoate IUPAC Name: (2R)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-keto-4-(4-phenoxyanilino)butyrate Formula: C22H30N3O4+ MolecularWeight: 400.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-3-25(4-2)15-14-23-20(22(27)28)16-21(26)24-17-10-12-19(13-11-17)29-18-8-6-5-7-9-18/h5-13,20,23H,3-4,14-16H2,1-2H3,(H,24,26)(H,27,28)/p+1/t20-/m1/s1