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

Systemtic Name: [3-[6-(azocan-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate Openeye Name: [3-[6-(azocan-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid [3-[6-(1-azocanyl)-2-butyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] tert-butyl ester IUPAC Name: [3-[6-(azocan-1-yl)-2-butylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [3-[6-(azocan-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl ester Formula: C36H45N3O3 MolecularWeight: 567.7608

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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)N5CCCCCCC5

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)N5CCCCCCC5

InChI

InChI=1S/C36H45N3O3/c1-6-7-18-33-37-30-21-19-28(38-23-14-9-8-10-15-24-38)25-32(30)39(33)31-22-20-29(27-16-12-11-13-17-27)34(26(31)2)41-35(40)42-36(3,4)5/h11-13,16-17,19-22,25H,6-10,14-15,18,23-24H2,1-5H3