ethyl 2-[5-(2-cyanophenyl)-2-methyl-benzimidazol-1-yl]octanoate

Systemtic Name: ethyl 2-[5-(2-cyanophenyl)-2-methyl-benzimidazol-1-yl]octanoate Openeye Name: ethyl 2-[5-(2-cyanophenyl)-2-methyl-benzimidazol-1-yl]octanoate CAS Name: 2-[5-(2-cyanophenyl)-2-methyl-1-benzimidazolyl]octanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-cyanophenyl)-2-methylbenzimidazol-1-yl]octanoate Traditional Name: 2-[5-(2-cyanophenyl)-2-methyl-benzimidazol-1-yl]caprylic acid ethyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)N1C(=NC2=C1C=CC(=C2)C3=CC=CC=C3C#N)C

Isomeric SMILES

CCCCCCC(C(=O)OCC)N1C(=NC2=C1C=CC(=C2)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C25H29N3O2/c1-4-6-7-8-13-24(25(29)30-5-2)28-18(3)27-22-16-19(14-15-23(22)28)21-12-10-9-11-20(21)17-26/h9-12,14-16,24H,4-8,13H2,1-3H3