methyl 4-[4-(1-chloranyl-4-cyclohexyl-butyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(1-chloranyl-4-cyclohexyl-butyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-chloro-4-cyclohexyl-butyl)phenyl]butanoate CAS Name: 4-[4-(1-chloro-4-cyclohexylbutyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-chloro-4-cyclohexylbutyl)phenyl]butanoate Traditional Name: 4-[4-(1-chloro-4-cyclohexyl-butyl)phenyl]butyric acid methyl ester Formula: C21H31ClO2 MolecularWeight: 350.92264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(CCCC2CCCCC2)Cl

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(CCCC2CCCCC2)Cl

InChI

InChI=1S/C21H31ClO2/c1-24-21(23)12-6-10-18-13-15-19(16-14-18)20(22)11-5-9-17-7-3-2-4-8-17/h13-17,20H,2-12H2,1H3