bis(phenylmethyl) (4S,5R)-4-(1-ethanoylindol-3-yl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate

Systemtic Name: bis(phenylmethyl) (4S,5R)-4-(1-ethanoylindol-3-yl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: dibenzyl (4S,5R)-4-(1-acetylindol-3-yl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: (4S,5R)-4-(1-acetyl-3-indolyl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (4S,5R)-4-(1-acetylindol-3-yl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: (4S,5R)-4-(1-acetylindol-3-yl)-2-oxido-2-isoxazolin-2-ium-3,5-dicarboxylic acid dibenzyl ester Formula: C29H24N2O7 MolecularWeight: 512.51006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C3C(O[N+](=C3C(=O)OCC4=CC=CC=C4)[O-])C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)[C@@H]3[C@@H](O[N+](=C3C(=O)OCC4=CC=CC=C4)[O-])C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H24N2O7/c1-19(32)30-16-23(22-14-8-9-15-24(22)30)25-26(28(33)36-17-20-10-4-2-5-11-20)31(35)38-27(25)29(34)37-18-21-12-6-3-7-13-21/h2-16,25,27H,17-18H2,1H3/t25-,27+/m0/s1