tert-butyl 4-[3-(4-pent-1-ynylphenoxy)propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(4-pent-1-ynylphenoxy)propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-pent-1-ynylphenoxy)propyl]imidazole-1-carboxylate CAS Name: 4-[3-(4-pent-1-ynylphenoxy)propyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-pent-1-ynylphenoxy)propyl]imidazole-1-carboxylate Traditional Name: 4-[3-(4-pent-1-ynylphenoxy)propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC=C(C=C1)OCCCC2=CN(C=N2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC#CC1=CC=C(C=C1)OCCCC2=CN(C=N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N2O3/c1-5-6-7-9-18-11-13-20(14-12-18)26-15-8-10-19-16-24(17-23-19)21(25)27-22(2,3)4/h11-14,16-17H,5-6,8,10,15H2,1-4H3