heptyl 4-(4-methoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: heptyl 4-(4-methoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: heptyl 4-hydroxy-4-(4-methoxyphenyl)cyclohexanecarboxylate CAS Name: 4-hydroxy-4-(4-methoxyphenyl)-1-cyclohexanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-hydroxy-4-(4-methoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-(4-methoxyphenyl)cyclohexanecarboxylic acid heptyl ester Formula: C21H32O4 MolecularWeight: 348.47638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)OC)O

Isomeric SMILES

CCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C21H32O4/c1-3-4-5-6-7-16-25-20(22)17-12-14-21(23,15-13-17)18-8-10-19(24-2)11-9-18/h8-11,17,23H,3-7,12-16H2,1-2H3