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

Systemtic Name: lithium 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylate hydrate Openeye Name: lithium 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylate hydrate CAS Name: lithium 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylate hydrate IUPAC Name: lithium 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate hydrate Traditional Name: lithium 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylate hydrate Formula: C20H26LiNO5 MolecularWeight: 367.36514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4.Li.H2O/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);;1H2/q;+1;/p-1