methyl 4-[4-(1-chloranyl-2-cyclohexyl-ethyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(1-chloranyl-2-cyclohexyl-ethyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-chloro-2-cyclohexyl-ethyl)phenyl]butanoate CAS Name: 4-[4-(1-chloro-2-cyclohexylethyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-chloro-2-cyclohexylethyl)phenyl]butanoate Traditional Name: 4-[4-(1-chloro-2-cyclohexyl-ethyl)phenyl]butyric acid methyl ester Formula: C19H27ClO2 MolecularWeight: 322.86948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(CC2CCCCC2)Cl

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(CC2CCCCC2)Cl

InChI

InChI=1S/C19H27ClO2/c1-22-19(21)9-5-8-15-10-12-17(13-11-15)18(20)14-16-6-3-2-4-7-16/h10-13,16,18H,2-9,14H2,1H3