(2S)-1-(2-azanylidene-3-hexyl-benzimidazol-1-yl)-3-(4-chloranylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(2-azanylidene-3-hexyl-benzimidazol-1-yl)-3-(4-chloranylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-chlorophenoxy)-3-(3-hexyl-2-imino-benzimidazol-1-yl)propan-2-ol CAS Name: (2S)-1-(4-chlorophenoxy)-3-(3-hexyl-2-imino-1-benzimidazolyl)-2-propanol IUPAC Name: (2S)-1-(4-chlorophenoxy)-3-(3-hexyl-2-iminobenzimidazol-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chlorophenoxy)-3-(3-hexyl-2-imino-benzimidazol-1-yl)propan-2-ol Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N(C1=N)C[C@@H](COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C22H28ClN3O2/c1-2-3-4-7-14-25-20-8-5-6-9-21(20)26(22(25)24)15-18(27)16-28-19-12-10-17(23)11-13-19/h5-6,8-13,18,24,27H,2-4,7,14-16H2,1H3/t18-/m0/s1