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

Systemtic Name: ethyl 4-[[[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamoylamino]methyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC(=O)NC2=C[N+](=NO2)C(C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC(=O)NC2=C[N+](=NO2)C(C)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4/c1-3-29-21(27)19-11-9-18(10-12-19)14-23-22(28)24-20-15-26(25-30-20)16(2)13-17-7-5-4-6-8-17/h4-12,15-16H,3,13-14H2,1-2H3,(H-,23,24,25,28)/p+1