4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylate; tris(hydroxymethyl)-methyl-azanium

Systemtic Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylate; tris(hydroxymethyl)-methyl-azanium Openeye Name: 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylate; tris(hydroxymethyl)-methyl-ammonium CAS Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylate; tris(hydroxymethyl)-methylammonium IUPAC Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate; tris(hydroxymethyl)-methylazanium Traditional Name: 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylate; methyl(trimethylol)ammonium Formula: C24H36N2O7 MolecularWeight: 464.55184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4.C4H12NO3/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;1-5(2-6,3-7)4-8/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);6-8H,2-4H2,1H3/q;+1/p-1