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

Systemtic Name: 2-diethylaminoethyl 4-[[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamoylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamoylamino]benzoate CAS Name: 4-[[oxo-[[3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumyl]amino]methyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamoylamino]benzoate Traditional Name: 4-[[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C25H32N5O4+ MolecularWeight: 466.55268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O4/c1-4-29(5-2)15-16-33-24(31)21-11-13-22(14-12-21)26-25(32)27-23-18-30(28-34-23)19(3)17-20-9-7-6-8-10-20/h6-14,18-19H,4-5,15-17H2,1-3H3,(H-,26,27,28,31,32)/p+1