1-[2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl butanoate

Systemtic Name: 1-[2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl butanoate Openeye Name: [1-methyl-2-[2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxy-ethyl] butanoate CAS Name: butanoic acid 1-[[2-(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl butanoate Traditional Name: butyric acid [1-methyl-2-[2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxy-ethyl] ester Formula: C31H42N2O3 MolecularWeight: 490.67678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCC

InChI

InChI=1S/C31H42N2O3/c1-4-6-7-8-9-13-19-31(20-17-27(18-21-31)26-15-11-10-12-16-26)30-32-22-28(23-33-30)35-24-25(3)36-29(34)14-5-2/h10-12,15-18,20-23,25,27H,4-9,13-14,19,24H2,1-3H3