tert-butyl 4-[3-(3-chloranylpropyl)-2-oxidanylidene-benzimidazol-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(3-chloranylpropyl)-2-oxidanylidene-benzimidazol-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(3-chloropropyl)-2-oxo-benzimidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-(3-chloropropyl)-2-oxo-1-benzimidazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(3-chloropropyl)-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(3-chloropropyl)-2-keto-benzimidazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H28ClN3O3 MolecularWeight: 393.90762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C3=CC=CC=C3N(C2=O)CCCCl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C3=CC=CC=C3N(C2=O)CCCCl

InChI

InChI=1S/C20H28ClN3O3/c1-20(2,3)27-19(26)22-13-9-15(10-14-22)24-17-8-5-4-7-16(17)23(18(24)25)12-6-11-21/h4-5,7-8,15H,6,9-14H2,1-3H3