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

Systemtic Name: lithium 4-cyano-4-(3-cyclopropyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylate Openeye Name: lithium 4-cyano-4-[3-(cyclopropoxy)-4-methoxy-phenyl]cyclohexanecarboxylate CAS Name: lithium 4-cyano-4-(3-cyclopropyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylate IUPAC Name: lithium 4-cyano-4-(3-cyclopropyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate Traditional Name: lithium 4-cyano-4-[3-(cyclopropoxy)-4-methoxy-phenyl]cyclohexanecarboxylate Formula: C18H20LiNO4 MolecularWeight: 321.2967

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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)OC3CC3

Isomeric SMILES

[Li+].COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)[O-])C#N)OC3CC3

InChI

InChI=1S/C18H21NO4.Li/c1-22-15-5-2-13(10-16(15)23-14-3-4-14)18(11-19)8-6-12(7-9-18)17(20)21;/h2,5,10,12,14H,3-4,6-9H2,1H3,(H,20,21);/q;+1/p-1