(phenylmethyl) 4-oxidanylidene-2-phenyl-5-(phenylmethyl)-1,3-oxazol-3-ium-3-carboxylate

Systemtic Name: (phenylmethyl) 4-oxidanylidene-2-phenyl-5-(phenylmethyl)-1,3-oxazol-3-ium-3-carboxylate Openeye Name: benzyl 5-benzyl-4-oxo-2-phenyl-oxazol-3-ium-3-carboxylate CAS Name: 4-oxo-2-phenyl-5-(phenylmethyl)-3-oxazol-3-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-benzyl-4-oxo-2-phenyl-1,3-oxazol-3-ium-3-carboxylate Traditional Name: 5-benzyl-4-keto-2-phenyl-2-oxazolin-3-ium-3-carboxylic acid benzyl ester Formula: C24H20NO4+ MolecularWeight: 386.4199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)[N+](=C(O2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)[N+](=C(O2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H20NO4/c26-22-21(16-18-10-4-1-5-11-18)29-23(20-14-8-3-9-15-20)25(22)24(27)28-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2/q+1