4-[4-(4-chlorophenyl)phenyl]carbonyl-6-methyl-heptanoic acid

Systemtic Name: 4-[4-(4-chlorophenyl)phenyl]carbonyl-6-methyl-heptanoic acid Openeye Name: 4-[4-(4-chlorophenyl)benzoyl]-6-methyl-heptanoic acid CAS Name: 4-[[4-(4-chlorophenyl)phenyl]-oxomethyl]-6-methylheptanoic acid IUPAC Name: 4-[4-(4-chlorophenyl)benzoyl]-6-methylheptanoic acid Traditional Name: 4-[4-(4-chlorophenyl)benzoyl]-6-methyl-enanthic acid Formula: C21H23ClO3 MolecularWeight: 358.85852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCC(=O)O)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(CCC(=O)O)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClO3/c1-14(2)13-18(9-12-20(23)24)21(25)17-5-3-15(4-6-17)16-7-10-19(22)11-8-16/h3-8,10-11,14,18H,9,12-13H2,1-2H3,(H,23,24)