pentyl 5-(4-acetyloxycyclohexyl)-2-methyl-benzoate

Systemtic Name: pentyl 5-(4-acetyloxycyclohexyl)-2-methyl-benzoate Openeye Name: pentyl 5-(4-acetoxycyclohexyl)-2-methyl-benzoate CAS Name: 5-(4-acetyloxycyclohexyl)-2-methylbenzoic acid pentyl ester IUPAC Name: pentyl 5-(4-acetyloxycyclohexyl)-2-methylbenzoate Traditional Name: 5-(4-acetoxycyclohexyl)-2-methyl-benzoic acid amyl ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C=CC(=C1)C2CCC(CC2)OC(=O)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(C=CC(=C1)C2CCC(CC2)OC(=O)C)C

InChI

InChI=1S/C21H30O4/c1-4-5-6-13-24-21(23)20-14-18(8-7-15(20)2)17-9-11-19(12-10-17)25-16(3)22/h7-8,14,17,19H,4-6,9-13H2,1-3H3