3-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]cyclopentane-1-carboxylic acid

Systemtic Name: 3-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]cyclopentane-1-carboxylic acid Openeye Name: 3-(4-benzoyl-2,6-dimethyl-phenoxy)cyclopentanecarboxylic acid CAS Name: 3-(4-benzoyl-2,6-dimethylphenoxy)-1-cyclopentanecarboxylic acid IUPAC Name: 3-(4-benzoyl-2,6-dimethylphenoxy)cyclopentane-1-carboxylic acid Traditional Name: 3-(4-benzoyl-2,6-dimethyl-phenoxy)cyclopentanecarboxylic acid Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2CCC(C2)C(=O)O)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1OC2CCC(C2)C(=O)O)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22O4/c1-13-10-17(19(22)15-6-4-3-5-7-15)11-14(2)20(13)25-18-9-8-16(12-18)21(23)24/h3-7,10-11,16,18H,8-9,12H2,1-2H3,(H,23,24)