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

Systemtic Name: [4-(2-octylpyrimidin-5-yl)phenyl] 1,4-dioxaspiro[4.5]decane-3-carboxylate Openeye Name: [4-(2-octylpyrimidin-5-yl)phenyl] 1,4-dioxaspiro[4.5]decane-3-carboxylate CAS Name: 1,4-dioxaspiro[4.5]decane-3-carboxylic acid [4-(2-octyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-octylpyrimidin-5-yl)phenyl] 1,4-dioxaspiro[4.5]decane-3-carboxylate Traditional Name: 1,4-dioxaspiro[4.5]decane-3-carboxylic acid [4-(2-octylpyrimidin-5-yl)phenyl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3COC4(O3)CCCCC4

Isomeric SMILES

CCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3COC4(O3)CCCCC4

InChI

InChI=1S/C27H36N2O4/c1-2-3-4-5-6-8-11-25-28-18-22(19-29-25)21-12-14-23(15-13-21)32-26(30)24-20-31-27(33-24)16-9-7-10-17-27/h12-15,18-19,24H,2-11,16-17,20H2,1H3