sodium 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylate

Systemtic Name: sodium 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylate Openeye Name: sodium 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylate CAS Name: sodium 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylate IUPAC Name: sodium 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate Traditional Name: sodium 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylate Formula: C20H24NNaO4 MolecularWeight: 365.39863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)[O-])C#N)OC3CCCC3.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)[O-])C#N)OC3CCCC3.[Na+]

InChI

InChI=1S/C20H25NO4.Na/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23;/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);/q;+1/p-1