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

Systemtic Name: tert-butyl 2-[4-[1-(2-butyl-4-chloranyl-5-oxidanyl-imidazol-1-yl)propyl]phenyl]-2-cyclopentyl-ethanoate Openeye Name: tert-butyl 2-[4-[1-(2-butyl-4-chloro-5-hydroxy-imidazol-1-yl)propyl]phenyl]-2-cyclopentyl-acetate CAS Name: 2-[4-[1-(2-butyl-4-chloro-5-hydroxy-1-imidazolyl)propyl]phenyl]-2-cyclopentylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[1-(2-butyl-4-chloro-5-hydroxyimidazol-1-yl)propyl]phenyl]-2-cyclopentylacetate Traditional Name: 2-[4-[1-(2-butyl-4-chloro-5-hydroxy-imidazol-1-yl)propyl]phenyl]-2-cyclopentyl-acetic acid tert-butyl ester Formula: C27H39ClN2O3 MolecularWeight: 475.06316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1C(CC)C2=CC=C(C=C2)C(C3CCCC3)C(=O)OC(C)(C)C)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1C(CC)C2=CC=C(C=C2)C(C3CCCC3)C(=O)OC(C)(C)C)O)Cl

InChI

InChI=1S/C27H39ClN2O3/c1-6-8-13-22-29-24(28)25(31)30(22)21(7-2)18-14-16-20(17-15-18)23(19-11-9-10-12-19)26(32)33-27(3,4)5/h14-17,19,21,23,31H,6-13H2,1-5H3