bis(phenylmethyl) 4-(1H-indol-3-yl)-2-oxidanyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate

Systemtic Name: bis(phenylmethyl) 4-(1H-indol-3-yl)-2-oxidanyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: dibenzyl 2-hydroxy-4-(1H-indol-3-yl)-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: 2-hydroxy-4-(1H-indol-3-yl)-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-hydroxy-4-(1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: 2-hydroxy-4-(1H-indol-3-yl)-2-isoxazolin-2-ium-3,5-dicarboxylic acid dibenzyl ester Formula: C27H23N2O6+ MolecularWeight: 471.48132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2C(C(=[N+](O2)O)C(=O)OCC3=CC=CC=C3)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2C(C(=[N+](O2)O)C(=O)OCC3=CC=CC=C3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H22N2O6/c30-26(33-16-18-9-3-1-4-10-18)24-23(21-15-28-22-14-8-7-13-20(21)22)25(35-29(24)32)27(31)34-17-19-11-5-2-6-12-19/h1-15,23,25,32H,16-17H2/p+1