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

Systemtic Name: 1-[2-(4-phenyl-1-undecyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl hexanoate Openeye Name: [1-methyl-2-[2-(4-phenyl-1-undecyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxy-ethyl] hexanoate CAS Name: hexanoic acid 1-[[2-(4-phenyl-1-undecyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-phenyl-1-undecylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-2-[2-(4-phenyl-1-undecyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxy-ethyl] ester Formula: C36H52N2O3 MolecularWeight: 560.80968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCCC

InChI

InChI=1S/C36H52N2O3/c1-4-6-8-9-10-11-12-13-18-24-36(25-22-32(23-26-36)31-19-16-14-17-20-31)35-37-27-33(28-38-35)40-29-30(3)41-34(39)21-15-7-5-2/h14,16-17,19-20,22-23,25-28,30,32H,4-13,15,18,21,24,29H2,1-3H3