phenyl 4-[4-(2-methylbutyl)cyclohexen-1-yl]butanoate

Systemtic Name: phenyl 4-[4-(2-methylbutyl)cyclohexen-1-yl]butanoate Openeye Name: phenyl 4-[4-(2-methylbutyl)cyclohexen-1-yl]butanoate CAS Name: 4-[4-(2-methylbutyl)-1-cyclohexenyl]butanoic acid phenyl ester IUPAC Name: phenyl 4-[4-(2-methylbutyl)cyclohexen-1-yl]butanoate Traditional Name: 4-[4-(2-methylbutyl)cyclohexen-1-yl]butyric acid phenyl ester Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1CCC(=CC1)CCCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C)CC1CCC(=CC1)CCCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H30O2/c1-3-17(2)16-19-14-12-18(13-15-19)8-7-11-21(22)23-20-9-5-4-6-10-20/h4-6,9-10,12,17,19H,3,7-8,11,13-16H2,1-2H3