methyl 4-[[[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamoylamino]methyl]benzoate CAS Name: 4-[[[oxo-[[3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumyl]amino]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamoylamino]methyl]benzoate Traditional Name: 4-[[[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamoylamino]methyl]benzoic acid methyl ester Formula: C21H23N4O4+ MolecularWeight: 395.43172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N4O4/c1-15(12-16-6-4-3-5-7-16)25-14-19(29-24-25)23-21(27)22-13-17-8-10-18(11-9-17)20(26)28-2/h3-11,14-15H,12-13H2,1-2H3,(H-,22,23,24,27)/p+1