[4-(5-octylpyrimidin-2-yl)phenyl] 4-butyl-5-oxidanylidene-oxolane-2-carboxylate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-butyl-5-oxidanylidene-oxolane-2-carboxylate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-butyl-5-oxo-tetrahydrofuran-2-carboxylate CAS Name: 4-butyl-5-oxo-2-oxolanecarboxylic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-butyl-5-oxooxolane-2-carboxylate Traditional Name: 4-butyl-5-keto-tetrahydrofuran-2-carboxylic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CC(C(=O)O3)CCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CC(C(=O)O3)CCCC

InChI

InChI=1S/C27H36N2O4/c1-3-5-7-8-9-10-11-20-18-28-25(29-19-20)21-13-15-23(16-14-21)32-27(31)24-17-22(12-6-4-2)26(30)33-24/h13-16,18-19,22,24H,3-12,17H2,1-2H3