(2,6-ditert-butyl-4-methoxy-phenyl) (1R,2S)-2-butylcyclopentane-1-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) (1R,2S)-2-butylcyclopentane-1-carboxylate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) (1R,2S)-2-butylcyclopentanecarboxylate CAS Name: (1R,2S)-2-butyl-1-cyclopentanecarboxylic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) (1R,2S)-2-butylcyclopentane-1-carboxylate Traditional Name: (1R,2S)-2-butylcyclopentanecarboxylic acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C25H40O3 MolecularWeight: 388.5833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCC1C(=O)OC2=C(C=C(C=C2C(C)(C)C)OC)C(C)(C)C

Isomeric SMILES

CCCC[C@H]1CCC[C@H]1C(=O)OC2=C(C=C(C=C2C(C)(C)C)OC)C(C)(C)C

InChI

InChI=1S/C25H40O3/c1-9-10-12-17-13-11-14-19(17)23(26)28-22-20(24(2,3)4)15-18(27-8)16-21(22)25(5,6)7/h15-17,19H,9-14H2,1-8H3/t17-,19+/m0/s1