3-(3-chlorophenyl)-2-[[3-(2,2-dimethylpropoxy)phenyl]methyl]-3-oxidanyl-propanoate

Systemtic Name: 3-(3-chlorophenyl)-2-[[3-(2,2-dimethylpropoxy)phenyl]methyl]-3-oxidanyl-propanoate Openeye Name: 3-(3-chlorophenyl)-2-[[3-(2,2-dimethylpropoxy)phenyl]methyl]-3-hydroxy-propanoate CAS Name: 3-(3-chlorophenyl)-2-[[3-(2,2-dimethylpropoxy)phenyl]methyl]-3-hydroxypropanoate IUPAC Name: 3-(3-chlorophenyl)-2-[[3-(2,2-dimethylpropoxy)phenyl]methyl]-3-hydroxypropanoate Traditional Name: 3-(3-chlorophenyl)-3-hydroxy-2-(3-neopentyloxybenzyl)propionate Formula: C21H24ClO4- MolecularWeight: 375.86586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=CC=CC(=C1)CC(C(C2=CC(=CC=C2)Cl)O)C(=O)[O-]

Isomeric SMILES

CC(C)(C)COC1=CC=CC(=C1)CC(C(C2=CC(=CC=C2)Cl)O)C(=O)[O-]

InChI

InChI=1S/C21H25ClO4/c1-21(2,3)13-26-17-9-4-6-14(10-17)11-18(20(24)25)19(23)15-7-5-8-16(22)12-15/h4-10,12,18-19,23H,11,13H2,1-3H3,(H,24,25)/p-1