tert-butyl 7-oxidanylidene-4,4-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 7-oxidanylidene-4,4-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate Openeye Name: tert-butyl 7-oxo-4,4-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate CAS Name: 7-oxo-4,4-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-oxo-4,4-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate Traditional Name: 7-keto-4,4-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2C(C1)C(CCC2=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2C(C1)C(CCC2=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29NO3/c1-24(2,3)29-23(28)26-16-20-21(17-26)25(15-14-22(20)27,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3