ditert-butyl 4-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzene-1,3-dicarboxylate

Systemtic Name: ditert-butyl 4-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzene-1,3-dicarboxylate Openeye Name: ditert-butyl 4-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzene-1,3-dicarboxylate CAS Name: 4-[4-[[4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl]methyl]phenyl]benzene-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzene-1,3-dicarboxylate Traditional Name: 4-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzene-1,3-dicarboxylic acid ditert-butyl ester Formula: C42H46N4O4 MolecularWeight: 670.83904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=C(C=C(C=C4)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C5=NC6=CC=CC=C6N5C)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=C(C=C(C=C4)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C5=NC6=CC=CC=C6N5C)C

InChI

InChI=1S/C42H46N4O4/c1-10-13-36-44-37-26(2)22-30(38-43-33-14-11-12-15-34(33)45(38)9)24-35(37)46(36)25-27-16-18-28(19-17-27)31-21-20-29(39(47)49-41(3,4)5)23-32(31)40(48)50-42(6,7)8/h11-12,14-24H,10,13,25H2,1-9H3