4-cyano-4-[3-(3-methanoyloxycyclopentyl)oxy-4-methoxy-phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-cyano-4-[3-(3-methanoyloxycyclopentyl)oxy-4-methoxy-phenyl]cyclohexane-1-carboxylic acid Openeye Name: 4-cyano-4-[3-(3-formyloxycyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid CAS Name: 4-cyano-4-[3-(3-formyloxycyclopentyl)oxy-4-methoxyphenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-cyano-4-[3-(3-formyloxycyclopentyl)oxy-4-methoxyphenyl]cyclohexane-1-carboxylic acid Traditional Name: 4-cyano-4-[3-(3-formyloxycyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCC(C3)OC=O

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCC(C3)OC=O

InChI

InChI=1S/C21H25NO6/c1-26-18-5-2-15(21(12-22)8-6-14(7-9-21)20(24)25)10-19(18)28-17-4-3-16(11-17)27-13-23/h2,5,10,13-14,16-17H,3-4,6-9,11H2,1H3,(H,24,25)