7-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]heptanoic acid

Systemtic Name: 7-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]heptanoic acid Openeye Name: 7-[3-(4-chlorobenzoyl)-2-methyl-phenyl]heptanoic acid CAS Name: 7-[3-[(4-chlorophenyl)-oxomethyl]-2-methylphenyl]heptanoic acid IUPAC Name: 7-[3-(4-chlorobenzoyl)-2-methylphenyl]heptanoic acid Traditional Name: 7-[3-(4-chlorobenzoyl)-2-methyl-phenyl]enanthic acid Formula: C21H23ClO3 MolecularWeight: 358.85852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CCCCCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=CC=C1CCCCCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClO3/c1-15-16(7-4-2-3-5-10-20(23)24)8-6-9-19(15)21(25)17-11-13-18(22)14-12-17/h6,8-9,11-14H,2-5,7,10H2,1H3,(H,23,24)