[6-(2,2-diphenylcyclopentyl)oxy-2-oxidanidyl-6-prop-2-enyl-4,5-dihydro-1,2-oxazin-2-ium-4-yl] benzoate

Systemtic Name: [6-(2,2-diphenylcyclopentyl)oxy-2-oxidanidyl-6-prop-2-enyl-4,5-dihydro-1,2-oxazin-2-ium-4-yl] benzoate Openeye Name: [6-allyl-6-(2,2-diphenylcyclopentoxy)-2-oxido-4,5-dihydrooxazin-2-ium-4-yl] benzoate CAS Name: benzoic acid [6-(2,2-diphenylcyclopentyl)oxy-2-oxido-6-prop-2-enyl-4,5-dihydrooxazin-2-ium-4-yl] ester IUPAC Name: [6-(2,2-diphenylcyclopentyl)oxy-2-oxido-6-prop-2-enyl-4,5-dihydrooxazin-2-ium-4-yl] benzoate Traditional Name: benzoic acid [6-allyl-6-(2,2-diphenylcyclopentoxy)-2-oxido-4,5-dihydrooxazin-2-ium-4-yl] ester Formula: C31H31NO5 MolecularWeight: 497.58154

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(CC(C=[N+](O1)[O-])OC(=O)C2=CC=CC=C2)OC3CCCC3(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCC1(CC(C=[N+](O1)[O-])OC(=O)C2=CC=CC=C2)OC3CCCC3(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H31NO5/c1-2-20-30(22-27(23-32(34)37-30)35-29(33)24-13-6-3-7-14-24)36-28-19-12-21-31(28,25-15-8-4-9-16-25)26-17-10-5-11-18-26/h2-11,13-18,23,27-28H,1,12,19-22H2