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

Systemtic Name: tert-butyl [3-[6-[1-(cyclopropylmethyl)imidazol-4-yl]-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[6-[1-(cyclopropylmethyl)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-(cyclopropylmethyl)-4-imidazolyl]-4-methyl-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[6-[1-(cyclopropylmethyl)imidazol-4-yl]-4-methyl-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[6-[1-(cyclopropylmethyl)imidazol-4-yl]-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C36H40N4O3 MolecularWeight: 576.7278

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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)CC6CC6)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)CC6CC6)C

InChI

InChI=1S/C36H40N4O3/c1-7-11-32-38-33-23(2)18-27(29-21-39(22-37-29)20-25-14-15-25)19-31(33)40(32)30-17-16-28(26-12-9-8-10-13-26)34(24(30)3)42-35(41)43-36(4,5)6/h8-10,12-13,16-19,21-22,25H,7,11,14-15,20H2,1-6H3