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

Systemtic Name: 4-[3-(3-chlorophenyl)carbonyl-2-methyl-phenyl]butanoic acid Openeye Name: 4-[3-(3-chlorobenzoyl)-2-methyl-phenyl]butanoic acid CAS Name: 4-[3-[(3-chlorophenyl)-oxomethyl]-2-methylphenyl]butanoic acid IUPAC Name: 4-[3-(3-chlorobenzoyl)-2-methylphenyl]butanoic acid Traditional Name: 4-[3-(3-chlorobenzoyl)-2-methyl-phenyl]butyric acid Formula: C18H17ClO3 MolecularWeight: 316.77878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CCCC(=O)O)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C=CC=C1CCCC(=O)O)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H17ClO3/c1-12-13(6-4-10-17(20)21)5-3-9-16(12)18(22)14-7-2-8-15(19)11-14/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,20,21)