phenyl 4-phenyl-1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylate

Systemtic Name: phenyl 4-phenyl-1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylate Openeye Name: phenyl 4-phenyl-1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylate CAS Name: 4-phenyl-1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylic acid phenyl ester IUPAC Name: phenyl 4-phenyl-1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylate Traditional Name: 4-phenyl-1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylic acid phenyl ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2CNCC2(C1C3=CC=CC=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1C=CC2CNCC2(C1C3=CC=CC=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C21H21NO2/c23-20(24-18-11-5-2-6-12-18)21-15-22-14-17(21)10-7-13-19(21)16-8-3-1-4-9-16/h1-12,17,19,22H,13-15H2