methyl 6-[3-(3-cyanophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate

Systemtic Name: methyl 6-[3-(3-cyanophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-[3-(3-cyanophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[3-(3-cyanophenyl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(3-cyanophenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[3-(3-cyanophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid methyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC1=CC2=C(C=C1)N=C(N2C3=CC=CC(=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCCCCOC1=CC2=C(C=C1)N=C(N2C3=CC=CC(=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c1-32-26(31)13-6-3-7-16-33-23-14-15-24-25(18-23)30(22-12-8-9-20(17-22)19-28)27(29-24)21-10-4-2-5-11-21/h2,4-5,8-12,14-15,17-18H,3,6-7,13,16H2,1H3