4-pentyl-4-(2-propoxyphenyl)cyclohexane-1-carboxylate

Systemtic Name: 4-pentyl-4-(2-propoxyphenyl)cyclohexane-1-carboxylate Openeye Name: 4-pentyl-4-(2-propoxyphenyl)cyclohexanecarboxylate CAS Name: 4-pentyl-4-(2-propoxyphenyl)-1-cyclohexanecarboxylate IUPAC Name: 4-pentyl-4-(2-propoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-amyl-4-(2-propoxyphenyl)cyclohexanecarboxylate Formula: C21H31O3- MolecularWeight: 331.46904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C(=O)[O-])C2=CC=CC=C2OCCC

Isomeric SMILES

CCCCCC1(CCC(CC1)C(=O)[O-])C2=CC=CC=C2OCCC

InChI

InChI=1S/C21H32O3/c1-3-5-8-13-21(14-11-17(12-15-21)20(22)23)18-9-6-7-10-19(18)24-16-4-2/h6-7,9-10,17H,3-5,8,11-16H2,1-2H3,(H,22,23)/p-1