ethyl 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-isohexyl-1-methyl-cyclohex-3-ene-1-carboxylate CAS Name: 1-methyl-4-(4-methylpentyl)-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carboxylate Traditional Name: 4-isohexyl-1-methyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C16H28O2 MolecularWeight: 252.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(=CC1)CCCC(C)C)C

Isomeric SMILES

CCOC(=O)C1(CCC(=CC1)CCCC(C)C)C

InChI

InChI=1S/C16H28O2/c1-5-18-15(17)16(4)11-9-14(10-12-16)8-6-7-13(2)3/h9,13H,5-8,10-12H2,1-4H3