tert-butyl 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-hexanoate

Systemtic Name: tert-butyl 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-hexanoate Openeye Name: tert-butyl 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-hexanoate CAS Name: 6-[4-[5-(1-imidazolyl)pentoxy]phenoxy]-2,2-dimethylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoate Traditional Name: 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-hexanoic acid tert-butyl ester Formula: C26H40N2O4 MolecularWeight: 444.6068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCN2C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCN2C=CN=C2

InChI

InChI=1S/C26H40N2O4/c1-25(2,3)32-24(29)26(4,5)15-7-10-20-31-23-13-11-22(12-14-23)30-19-9-6-8-17-28-18-16-27-21-28/h11-14,16,18,21H,6-10,15,17,19-20H2,1-5H3