[4-(5-octoxypyrimidin-2-yl)phenyl] 1,4-dioxaspiro[4.5]decane-3-carboxylate

Systemtic Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 1,4-dioxaspiro[4.5]decane-3-carboxylate Openeye Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 1,4-dioxaspiro[4.5]decane-3-carboxylate CAS Name: 1,4-dioxaspiro[4.5]decane-3-carboxylic acid [4-(5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 1,4-dioxaspiro[4.5]decane-3-carboxylate Traditional Name: 1,4-dioxaspiro[4.5]decane-3-carboxylic acid [4-(5-octoxypyrimidin-2-yl)phenyl] ester Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3COC4(O3)CCCCC4

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3COC4(O3)CCCCC4

InChI

InChI=1S/C27H36N2O5/c1-2-3-4-5-6-10-17-31-23-18-28-25(29-19-23)21-11-13-22(14-12-21)33-26(30)24-20-32-27(34-24)15-8-7-9-16-27/h11-14,18-19,24H,2-10,15-17,20H2,1H3