4-(2-ethyl-3-methoxy-phenyl)-1,3-bis[2-(3-methyl-4-propyl-phenyl)ethyl]benzimidazol-2-imine

Systemtic Name: 4-(2-ethyl-3-methoxy-phenyl)-1,3-bis[2-(3-methyl-4-propyl-phenyl)ethyl]benzimidazol-2-imine Openeye Name: 4-(2-ethyl-3-methoxy-phenyl)-1,3-bis[2-(3-methyl-4-propyl-phenyl)ethyl]benzimidazol-2-imine CAS Name: 4-(2-ethyl-3-methoxyphenyl)-1,3-bis[2-(3-methyl-4-propylphenyl)ethyl]-2-benzimidazolimine IUPAC Name: 4-(2-ethyl-3-methoxyphenyl)-1,3-bis[2-(3-methyl-4-propylphenyl)ethyl]benzimidazol-2-imine Traditional Name: [4-(2-ethyl-3-methoxy-phenyl)-1,3-bis[2-(3-methyl-4-propyl-phenyl)ethyl]benzimidazol-2-ylidene]amine Formula: C40H49N3O MolecularWeight: 587.83656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)CCN2C3=CC=CC(=C3N(C2=N)CCC4=CC(=C(C=C4)CCC)C)C5=C(C(=CC=C5)OC)CC)C

Isomeric SMILES

CCCC1=C(C=C(C=C1)CCN2C3=CC=CC(=C3N(C2=N)CCC4=CC(=C(C=C4)CCC)C)C5=C(C(=CC=C5)OC)CC)C

InChI

InChI=1S/C40H49N3O/c1-7-12-32-20-18-30(26-28(32)4)22-24-42-37-16-10-15-36(35-14-11-17-38(44-6)34(35)9-3)39(37)43(40(42)41)25-23-31-19-21-33(13-8-2)29(5)27-31/h10-11,14-21,26-27,41H,7-9,12-13,22-25H2,1-6H3