3-[1-[(2-chlorophenyl)methyl]-2-oxidanylidene-cyclohexyl]-2-methyl-propanoic acid

Systemtic Name: 3-[1-[(2-chlorophenyl)methyl]-2-oxidanylidene-cyclohexyl]-2-methyl-propanoic acid Openeye Name: 3-[1-[(2-chlorophenyl)methyl]-2-oxo-cyclohexyl]-2-methyl-propanoic acid CAS Name: 3-[1-[(2-chlorophenyl)methyl]-2-oxocyclohexyl]-2-methylpropanoic acid IUPAC Name: 3-[1-[(2-chlorophenyl)methyl]-2-oxocyclohexyl]-2-methylpropanoic acid Traditional Name: 3-[1-(2-chlorobenzyl)-2-keto-cyclohexyl]-2-methyl-propionic acid Formula: C17H21ClO3 MolecularWeight: 308.79984

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1(CCCCC1=O)CC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CC(CC1(CCCCC1=O)CC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C17H21ClO3/c1-12(16(20)21)10-17(9-5-4-8-15(17)19)11-13-6-2-3-7-14(13)18/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,20,21)