tert-butyl [3-[4-chloranyl-6-(3-oxidanylidene-1H-isoindol-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[4-chloranyl-6-(3-oxidanylidene-1H-isoindol-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[4-chloro-6-(1-oxoisoindolin-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[4-chloro-6-(3-oxo-1H-isoindol-2-yl)-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[4-chloro-6-(3-oxo-1H-isoindol-2-yl)-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[4-chloro-6-(1-ketoisoindolin-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C36H34ClN3O4 MolecularWeight: 608.12586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)N5CC6=CC=CC=C6C5=O)Cl

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)N5CC6=CC=CC=C6C5=O)Cl

InChI

InChI=1S/C36H34ClN3O4/c1-6-12-31-38-32-28(37)19-25(39-21-24-15-10-11-16-27(24)34(39)41)20-30(32)40(31)29-18-17-26(23-13-8-7-9-14-23)33(22(29)2)43-35(42)44-36(3,4)5/h7-11,13-20H,6,12,21H2,1-5H3