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

Systemtic Name: [3-[6-[1-(3-azanyl-3-oxidanylidene-propyl)imidazol-4-yl]-2-ethyl-4-methyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate Openeye Name: [3-[6-[1-(3-amino-3-oxo-propyl)imidazol-4-yl]-2-ethyl-4-methyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid [3-[6-[1-(3-amino-3-oxopropyl)-4-imidazolyl]-2-ethyl-4-methyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] tert-butyl ester IUPAC Name: [3-[6-[1-(3-amino-3-oxopropyl)imidazol-4-yl]-2-ethyl-4-methylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [3-[6-[1-(3-amino-3-keto-propyl)imidazol-4-yl]-2-ethyl-4-methyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl ester Formula: C34H37N5O4 MolecularWeight: 579.68868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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)CCC(=O)N)C

Isomeric SMILES

CCC1=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)CCC(=O)N)C

InChI

InChI=1S/C34H37N5O4/c1-7-30-37-31-21(2)17-24(26-19-38(20-36-26)16-15-29(35)40)18-28(31)39(30)27-14-13-25(23-11-9-8-10-12-23)32(22(27)3)42-33(41)43-34(4,5)6/h8-14,17-20H,7,15-16H2,1-6H3,(H2,35,40)