tert-butyl 4-[3-[2-[(4-chloranylphenoxy)methyl]-4-prop-2-enyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[2-[(4-chloranylphenoxy)methyl]-4-prop-2-enyl-benzimidazol-1-yl]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-allyl-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylate CAS Name: 4-[3-[2-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1-benzimidazolyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[2-[(4-chlorophenoxy)methyl]-4-prop-2-enylbenzimidazol-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[4-allyl-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H38ClN3O3 MolecularWeight: 524.09402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C3=CC=CC(=C3N=C2COC4=CC=C(C=C4)Cl)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C3=CC=CC(=C3N=C2COC4=CC=C(C=C4)Cl)CC=C

InChI

InChI=1S/C30H38ClN3O3/c1-5-8-23-10-6-11-26-28(23)32-27(21-36-25-14-12-24(31)13-15-25)34(26)18-7-9-22-16-19-33(20-17-22)29(35)37-30(2,3)4/h5-6,10-15,22H,1,7-9,16-21H2,2-4H3