(3,3,5-trimethylcyclohexyl) 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate

Systemtic Name: (3,3,5-trimethylcyclohexyl) 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate Openeye Name: (3,3,5-trimethylcyclohexyl) 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid (3,3,5-trimethylcyclohexyl) ester IUPAC Name: (3,3,5-trimethylcyclohexyl) 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate Traditional Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid (3,3,5-trimethylcyclohexyl) ester Formula: C26H31ClO4 MolecularWeight: 442.97494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OC(=O)C(C)(C)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CC(CC(C1)(C)C)OC(=O)C(C)(C)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H31ClO4/c1-17-14-22(16-25(2,3)15-17)30-24(29)26(4,5)31-21-12-8-19(9-13-21)23(28)18-6-10-20(27)11-7-18/h6-13,17,22H,14-16H2,1-5H3