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

Systemtic Name: lithium 1-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylate Openeye Name: lithium 1-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylate CAS Name: lithium 1-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylate IUPAC Name: lithium 1-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate Traditional Name: lithium 1-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylate Formula: C20H24LiNO4 MolecularWeight: 349.34986

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].COC1=C(C=C(C=C1)C2CCC(CC2)(C#N)C(=O)[O-])OC3CCCC3

Isomeric SMILES

[Li+].COC1=C(C=C(C=C1)C2CCC(CC2)(C#N)C(=O)[O-])OC3CCCC3

InChI

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