4-oxidanylidene-4-[2-(4-pentylcyclohexyl)phenyl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[2-(4-pentylcyclohexyl)phenyl]butanoic acid Openeye Name: 4-oxo-4-[2-(4-pentylcyclohexyl)phenyl]butanoic acid CAS Name: 4-oxo-4-[2-(4-pentylcyclohexyl)phenyl]butanoic acid IUPAC Name: 4-oxo-4-[2-(4-pentylcyclohexyl)phenyl]butanoic acid Traditional Name: 4-[2-(4-amylcyclohexyl)phenyl]-4-keto-butyric acid Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=CC=C2C(=O)CCC(=O)O

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=CC=C2C(=O)CCC(=O)O

InChI

InChI=1S/C21H30O3/c1-2-3-4-7-16-10-12-17(13-11-16)18-8-5-6-9-19(18)20(22)14-15-21(23)24/h5-6,8-9,16-17H,2-4,7,10-15H2,1H3,(H,23,24)