tert-butyl 4-chloranyl-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate

Systemtic Name: tert-butyl 4-chloranyl-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate Openeye Name: tert-butyl 4-chloro-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate CAS Name: 4-chloro-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate Traditional Name: 4-chloro-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylic acid tert-butyl ester Formula: C25H30ClNO2 MolecularWeight: 411.9642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2C(CCC(C2C1)(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2C(CCC(C2C1)(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H30ClNO2/c1-24(2,3)29-23(28)27-16-20-21(17-27)25(15-14-22(20)26,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-22H,14-17H2,1-3H3