phenyl 4-(4-butylcyclohexen-1-yl)pentanoate

Systemtic Name: phenyl 4-(4-butylcyclohexen-1-yl)pentanoate Openeye Name: phenyl 4-(4-butylcyclohexen-1-yl)pentanoate CAS Name: 4-(4-butyl-1-cyclohexenyl)pentanoic acid phenyl ester IUPAC Name: phenyl 4-(4-butylcyclohexen-1-yl)pentanoate Traditional Name: 4-(4-butylcyclohexen-1-yl)valeric acid phenyl ester Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(=CC1)C(C)CCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCC1CCC(=CC1)C(C)CCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H30O2/c1-3-4-8-18-12-14-19(15-13-18)17(2)11-16-21(22)23-20-9-6-5-7-10-20/h5-7,9-10,14,17-18H,3-4,8,11-13,15-16H2,1-2H3