1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(4-chloranylphenoxy)methyl]benzimidazole

Systemtic Name: 1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(4-chloranylphenoxy)methyl]benzimidazole Openeye Name: 2-[(4-chlorophenoxy)methyl]-1-[3-(4-sec-butylphenoxy)propyl]benzimidazole CAS Name: 1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(4-chlorophenoxy)methyl]benzimidazole IUPAC Name: 1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(4-chlorophenoxy)methyl]benzimidazole Traditional Name: 2-[(4-chlorophenoxy)methyl]-1-[3-(4-sec-butylphenoxy)propyl]benzimidazole Formula: C27H29ClN2O2 MolecularWeight: 448.98436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29ClN2O2/c1-3-20(2)21-9-13-23(14-10-21)31-18-6-17-30-26-8-5-4-7-25(26)29-27(30)19-32-24-15-11-22(28)12-16-24/h4-5,7-16,20H,3,6,17-19H2,1-2H3