1-[4-(2-methylpropoxy)phenyl]cycloheptane-1-carboxylate

Systemtic Name: 1-[4-(2-methylpropoxy)phenyl]cycloheptane-1-carboxylate Openeye Name: 1-(4-isobutoxyphenyl)cycloheptanecarboxylate CAS Name: 1-[4-(2-methylpropoxy)phenyl]-1-cycloheptanecarboxylate IUPAC Name: 1-[4-(2-methylpropoxy)phenyl]cycloheptane-1-carboxylate Traditional Name: 1-(4-isobutoxyphenyl)cycloheptanecarboxylate Formula: C18H25O3- MolecularWeight: 289.3893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2(CCCCCC2)C(=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2(CCCCCC2)C(=O)[O-]

InChI

InChI=1S/C18H26O3/c1-14(2)13-21-16-9-7-15(8-10-16)18(17(19)20)11-5-3-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,20)/p-1