(2-chlorophenyl) 2-ethyl-3-methyl-2-[phenoxy(phenyl)methyl]hexanoate

Systemtic Name: (2-chlorophenyl) 2-ethyl-3-methyl-2-[phenoxy(phenyl)methyl]hexanoate Openeye Name: (2-chlorophenyl) 2-ethyl-3-methyl-2-[phenoxy(phenyl)methyl]hexanoate CAS Name: 2-ethyl-3-methyl-2-[phenoxy(phenyl)methyl]hexanoic acid (2-chlorophenyl) ester IUPAC Name: (2-chlorophenyl) 2-ethyl-3-methyl-2-[phenoxy(phenyl)methyl]hexanoate Traditional Name: 2-ethyl-3-methyl-2-[phenoxy(phenyl)methyl]hexanoic acid (2-chlorophenyl) ester Formula: C28H31ClO3 MolecularWeight: 450.99694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(CC)(C(C1=CC=CC=C1)OC2=CC=CC=C2)C(=O)OC3=CC=CC=C3Cl

Isomeric SMILES

CCCC(C)C(CC)(C(C1=CC=CC=C1)OC2=CC=CC=C2)C(=O)OC3=CC=CC=C3Cl

InChI

InChI=1S/C28H31ClO3/c1-4-14-21(3)28(5-2,27(30)32-25-20-13-12-19-24(25)29)26(22-15-8-6-9-16-22)31-23-17-10-7-11-18-23/h6-13,15-21,26H,4-5,14H2,1-3H3