2-[(3-cyano-3,3-diphenyl-propyl)-ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]butanoate

Systemtic Name: 2-[(3-cyano-3,3-diphenyl-propyl)-ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]butanoate Openeye Name: 2-[(3-cyano-3,3-diphenyl-propyl)-ethyl-(2-oxido-2-oxo-ethyl)ammonio]butanoate CAS Name: 2-[(3-cyano-3,3-diphenylpropyl)-ethyl-(2-oxido-2-oxoethyl)ammonio]butanoate IUPAC Name: 2-[(3-cyano-3,3-diphenylpropyl)-ethyl-(2-oxido-2-oxoethyl)azaniumyl]butanoate Traditional Name: 2-[(3-cyano-3,3-diphenyl-propyl)-ethyl-(2-keto-2-oxido-ethyl)ammonio]butyrate Formula: C24H27N2O4- MolecularWeight: 407.48218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[N+](CC)(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

CCC(C(=O)[O-])[N+](CC)(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C24H28N2O4/c1-3-21(23(29)30)26(4-2,17-22(27)28)16-15-24(18-25,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21H,3-4,15-17H2,1-2H3,(H-,27,28,29,30)/p-1