(phenylmethyl) 6-oxidanyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole-2-carboxylate

Systemtic Name: (phenylmethyl) 6-oxidanyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole-2-carboxylate Openeye Name: benzyl 6-hydroxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole-2-carboxylate CAS Name: 6-hydroxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-hydroxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole-2-carboxylate Traditional Name: 6-hydroxy-1,3,3a,4,5,9b-hexahydrobenz[e]isoindole-2-carboxylic acid benzyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2O)C3C1CN(C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C=CC=C2O)C3C1CN(C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H21NO3/c22-19-8-4-7-16-17(19)10-9-15-11-21(12-18(15)16)20(23)24-13-14-5-2-1-3-6-14/h1-8,15,18,22H,9-13H2