7-oxidanylidene-4-phenyl-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate

Systemtic Name: 7-oxidanylidene-4-phenyl-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Openeye Name: 2-benzyl-7-oxo-4-phenyl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate CAS Name: 7-oxo-4-phenyl-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate IUPAC Name: 2-benzyl-7-oxo-4-phenyl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Traditional Name: 2-benzyl-7-keto-4-phenyl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2CN(CC2(C1C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)C2CN(CC2(C1C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H23NO3/c24-20-12-11-18(17-9-5-2-6-10-17)22(21(25)26)15-23(14-19(20)22)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,25,26)/p-1