tert-butyl 2-[4-[3-(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)propyl]phenyl]-2-cyclopentyl-ethanoate

Systemtic Name: tert-butyl 2-[4-[3-(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)propyl]phenyl]-2-cyclopentyl-ethanoate Openeye Name: tert-butyl 2-[4-[3-(2-butyl-4-chloro-5-formyl-imidazol-1-yl)propyl]phenyl]-2-cyclopentyl-acetate CAS Name: 2-[4-[3-(2-butyl-4-chloro-5-formyl-1-imidazolyl)propyl]phenyl]-2-cyclopentylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[3-(2-butyl-4-chloro-5-formylimidazol-1-yl)propyl]phenyl]-2-cyclopentylacetate Traditional Name: 2-[4-[3-(2-butyl-4-chloro-5-formyl-imidazol-1-yl)propyl]phenyl]-2-cyclopentyl-acetic acid tert-butyl ester Formula: C28H39ClN2O3 MolecularWeight: 487.07386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CCCC2=CC=C(C=C2)C(C3CCCC3)C(=O)OC(C)(C)C)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CCCC2=CC=C(C=C2)C(C3CCCC3)C(=O)OC(C)(C)C)C=O)Cl

InChI

InChI=1S/C28H39ClN2O3/c1-5-6-13-24-30-26(29)23(19-32)31(24)18-9-10-20-14-16-22(17-15-20)25(21-11-7-8-12-21)27(33)34-28(2,3)4/h14-17,19,21,25H,5-13,18H2,1-4H3