(3,4,5-trimethoxyphenyl)methyl (2R)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: (3,4,5-trimethoxyphenyl)methyl (2R)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: (3,4,5-trimethoxyphenyl)methyl (2R)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid (3,4,5-trimethoxyphenyl)methyl ester IUPAC Name: (3,4,5-trimethoxyphenyl)methyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-butyric acid (3,4,5-trimethoxybenzyl) ester Formula: C21H25ClO5 MolecularWeight: 392.8732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)OCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H25ClO5/c1-13(2)19(15-6-8-16(22)9-7-15)21(23)27-12-14-10-17(24-3)20(26-5)18(11-14)25-4/h6-11,13,19H,12H2,1-5H3/t19-/m1/s1