3-[2-[(4-chloranylphenoxy)methyl]-4-methyl-benzimidazol-1-yl]propyl 2-(4-cyclohexylpiperazin-1-yl)ethanoate

Systemtic Name: 3-[2-[(4-chloranylphenoxy)methyl]-4-methyl-benzimidazol-1-yl]propyl 2-(4-cyclohexylpiperazin-1-yl)ethanoate Openeye Name: 3-[2-[(4-chlorophenoxy)methyl]-4-methyl-benzimidazol-1-yl]propyl 2-(4-cyclohexylpiperazin-1-yl)acetate CAS Name: 2-(4-cyclohexyl-1-piperazinyl)acetic acid 3-[2-[(4-chlorophenoxy)methyl]-4-methyl-1-benzimidazolyl]propyl ester IUPAC Name: 3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl 2-(4-cyclohexylpiperazin-1-yl)acetate Traditional Name: 2-(4-cyclohexylpiperazino)acetic acid 3-[2-[(4-chlorophenoxy)methyl]-4-methyl-benzimidazol-1-yl]propyl ester Formula: C30H39ClN4O3 MolecularWeight: 539.10866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCOC(=O)CN4CCN(CC4)C5CCCCC5

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCOC(=O)CN4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C30H39ClN4O3/c1-23-7-5-10-27-30(23)32-28(22-38-26-13-11-24(31)12-14-26)35(27)15-6-20-37-29(36)21-33-16-18-34(19-17-33)25-8-3-2-4-9-25/h5,7,10-14,25H,2-4,6,8-9,15-22H2,1H3