tert-butyl [3-[2-butyl-5-(3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-5-(3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-5-(3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-5-(3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-5-(3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-5-(3-keto-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C37H43N3O4 MolecularWeight: 593.75502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=CC(=C2)N5CC6CCCCC6C5=O

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=CC(=C2)N5CC6CCCCC6C5=O

InChI

InChI=1S/C37H43N3O4/c1-6-7-17-33-38-30-22-27(39-23-26-15-11-12-16-29(26)35(39)41)18-20-32(30)40(33)31-21-19-28(25-13-9-8-10-14-25)34(24(31)2)43-36(42)44-37(3,4)5/h8-10,13-14,18-22,26,29H,6-7,11-12,15-17,23H2,1-5H3