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

Systemtic Name: 1-[2-(1-dodecyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl octanoate Openeye Name: [2-[2-(1-dodecyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxy-1-methyl-ethyl] octanoate CAS Name: octanoic acid 1-[[2-(1-dodecyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(1-dodecyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl octanoate Traditional Name: caprylic acid [2-[2-(1-lauryl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxy-1-methyl-ethyl] ester Formula: C39H58N2O3 MolecularWeight: 602.88942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCCCCC

InChI

InChI=1S/C39H58N2O3/c1-4-6-8-10-11-12-13-14-16-21-27-39(28-25-35(26-29-39)34-22-18-17-19-23-34)38-40-30-36(31-41-38)43-32-33(3)44-37(42)24-20-15-9-7-5-2/h17-19,22-23,25-26,28-31,33,35H,4-16,20-21,24,27,32H2,1-3H3