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

Systemtic Name: 1-[2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl octanoate Openeye Name: [1-methyl-2-[2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxy-ethyl] octanoate CAS Name: octanoic acid 1-[[2-(4-phenyl-1-undecoxy-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-phenyl-1-undecoxycyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl octanoate Traditional Name: caprylic acid [1-methyl-2-[2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxy-ethyl] ester Formula: C38H56N2O4 MolecularWeight: 604.86224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCCCCC

InChI

InChI=1S/C38H56N2O4/c1-4-6-8-10-11-12-13-15-20-28-43-38(26-24-34(25-27-38)33-21-17-16-18-22-33)37-39-29-35(30-40-37)42-31-32(3)44-36(41)23-19-14-9-7-5-2/h16-18,21-22,24-27,29-30,32,34H,4-15,19-20,23,28,31H2,1-3H3