tert-butyl [3-[6-[1-(cyclopentylmethyl)imidazol-4-yl]-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[6-[1-(cyclopentylmethyl)imidazol-4-yl]-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[6-[1-(cyclopentylmethyl)imidazol-4-yl]-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[6-[1-(cyclopentylmethyl)-4-imidazolyl]-4-methyl-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[6-[1-(cyclopentylmethyl)imidazol-4-yl]-4-methyl-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[6-[1-(cyclopentylmethyl)imidazol-4-yl]-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C38H44N4O3 MolecularWeight: 604.78096

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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)C5=CN(C=N5)CC6CCCC6)C

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)C5=CN(C=N5)CC6CCCC6)C

InChI

InChI=1S/C38H44N4O3/c1-7-13-34-40-35-25(2)20-29(31-23-41(24-39-31)22-27-14-11-12-15-27)21-33(35)42(34)32-19-18-30(28-16-9-8-10-17-28)36(26(32)3)44-37(43)45-38(4,5)6/h8-10,16-21,23-24,27H,7,11-15,22H2,1-6H3