tert-butyl [3-[2-butyl-6-[phenylcarbonyl(propan-2-yl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-6-[phenylcarbonyl(propan-2-yl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: [3-[6-[benzoyl(isopropyl)amino]-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid [3-[6-[benzoyl(propan-2-yl)amino]-2-butyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] tert-butyl ester IUPAC Name: [3-[6-[benzoyl(propan-2-yl)amino]-2-butylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [3-[6-[benzoyl(isopropyl)amino]-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl ester Formula: C39H43N3O4 MolecularWeight: 617.77642

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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=C(C=C2)N(C(C)C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=C(C=C2)N(C(C)C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C39H43N3O4/c1-8-9-20-35-40-32-23-21-30(41(26(2)3)37(43)29-18-14-11-15-19-29)25-34(32)42(35)33-24-22-31(28-16-12-10-13-17-28)36(27(33)4)45-38(44)46-39(5,6)7/h10-19,21-26H,8-9,20H2,1-7H3