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

Systemtic Name: 4-[[[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamoylamino]methyl]benzoate Openeye Name: 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]benzoate IUPAC Name: 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]benzoate Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-14(11-15-5-3-2-4-6-15)24-13-18(28-23-24)22-20(27)21-12-16-7-9-17(10-8-16)19(25)26/h2-10,13-14H,11-12H2,1H3,(H2-,21,22,23,25,26,27)