[3-[4-[aminocarbonyl-(2-phenylphenyl)amino]-2-butyl-benzimidazol-1-yl]-6-methyl-2-phenyl-phenyl] tert-butyl carbonate

Systemtic Name: [3-[4-[aminocarbonyl-(2-phenylphenyl)amino]-2-butyl-benzimidazol-1-yl]-6-methyl-2-phenyl-phenyl] tert-butyl carbonate Openeye Name: tert-butyl [3-[2-butyl-4-(N-carbamoyl-2-phenyl-anilino)benzimidazol-1-yl]-6-methyl-2-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-4-(N-carbamoyl-2-phenylanilino)-1-benzimidazolyl]-6-methyl-2-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-4-(N-carbamoyl-2-phenylanilino)benzimidazol-1-yl]-6-methyl-2-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-4-(N-carbamoyl-2-phenyl-anilino)benzimidazol-1-yl]-6-methyl-2-phenyl-phenyl] ester Formula: C42H42N4O4 MolecularWeight: 666.80728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C)OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=CC=C2N(C5=CC=CC=C5C6=CC=CC=C6)C(=O)N

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C)OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=CC=C2N(C5=CC=CC=C5C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C42H42N4O4/c1-6-7-25-36-44-38-34(23-16-24-35(38)46(40(43)47)32-22-15-14-21-31(32)29-17-10-8-11-18-29)45(36)33-27-26-28(2)39(49-41(48)50-42(3,4)5)37(33)30-19-12-9-13-20-30/h8-24,26-27H,6-7,25H2,1-5H3,(H2,43,47)