3-(3-chlorophenyl)-2-[[4-(2-methylbutan-2-yl)phenyl]methyl]-3-oxidanyl-propanoate

Systemtic Name: 3-(3-chlorophenyl)-2-[[4-(2-methylbutan-2-yl)phenyl]methyl]-3-oxidanyl-propanoate Openeye Name: 3-(3-chlorophenyl)-2-[[4-(1,1-dimethylpropyl)phenyl]methyl]-3-hydroxy-propanoate CAS Name: 3-(3-chlorophenyl)-3-hydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]methyl]propanoate IUPAC Name: 3-(3-chlorophenyl)-3-hydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]methyl]propanoate Traditional Name: 2-(4-tert-amylbenzyl)-3-(3-chlorophenyl)-3-hydroxy-propionate Formula: C21H24ClO3- MolecularWeight: 359.86646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClO3/c1-4-21(2,3)16-10-8-14(9-11-16)12-18(20(24)25)19(23)15-6-5-7-17(22)13-15/h5-11,13,18-19,23H,4,12H2,1-3H3,(H,24,25)/p-1