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

Systemtic Name: [2-oxidanidyl-6-[(1S,2R)-2-phenylcyclohexyl]oxy-6-prop-2-enyl-4,5-dihydro-1,2-oxazin-2-ium-4-yl] benzoate Openeye Name: [6-allyl-2-oxido-6-[(1S,2R)-2-phenylcyclohexoxy]-4,5-dihydrooxazin-2-ium-4-yl] benzoate CAS Name: benzoic acid [2-oxido-6-[(1S,2R)-2-phenylcyclohexyl]oxy-6-prop-2-enyl-4,5-dihydrooxazin-2-ium-4-yl] ester IUPAC Name: [2-oxido-6-[(1S,2R)-2-phenylcyclohexyl]oxy-6-prop-2-enyl-4,5-dihydrooxazin-2-ium-4-yl] benzoate Traditional Name: benzoic acid [6-allyl-2-oxido-6-[(1S,2R)-2-phenylcyclohexoxy]-4,5-dihydrooxazin-2-ium-4-yl] ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(CC(C=[N+](O1)[O-])OC(=O)C2=CC=CC=C2)OC3CCCCC3C4=CC=CC=C4

Isomeric SMILES

C=CCC1(CC(C=[N+](O1)[O-])OC(=O)C2=CC=CC=C2)O[C@H]3CCCC[C@@H]3C4=CC=CC=C4

InChI

InChI=1S/C26H29NO5/c1-2-17-26(31-24-16-10-9-15-23(24)20-11-5-3-6-12-20)18-22(19-27(29)32-26)30-25(28)21-13-7-4-8-14-21/h2-8,11-14,19,22-24H,1,9-10,15-18H2/t22?,23-,24+,26?/m1/s1