(5-methyl-2-propan-2-yl-cyclohexyl) 4-tert-butylbenzoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 4-tert-butylbenzoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C21H32O2 MolecularWeight: 316.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=C(C=C2)C(C)(C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC=C(C=C2)C(C)(C)C)C(C)C

InChI

InChI=1S/C21H32O2/c1-14(2)18-12-7-15(3)13-19(18)23-20(22)16-8-10-17(11-9-16)21(4,5)6/h8-11,14-15,18-19H,7,12-13H2,1-6H3