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

Systemtic Name: (phenylmethyl) 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-hexanoate Openeye Name: benzyl 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-hexanoate CAS Name: 6-[4-[5-(1-imidazolyl)pentoxy]phenoxy]-2,2-dimethylhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoate Traditional Name: 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-hexanoic acid benzyl ester Formula: C29H38N2O4 MolecularWeight: 478.62302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCOC1=CC=C(C=C1)OCCCCCN2C=CN=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(CCCCOC1=CC=C(C=C1)OCCCCCN2C=CN=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H38N2O4/c1-29(2,28(32)35-23-25-11-5-3-6-12-25)17-7-10-22-34-27-15-13-26(14-16-27)33-21-9-4-8-19-31-20-18-30-24-31/h3,5-6,11-16,18,20,24H,4,7-10,17,19,21-23H2,1-2H3