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

Systemtic Name: 1-[1-(5-hexylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]oxypropan-2-yl butanoate Openeye Name: [2-[1-(5-hexylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]oxy-1-methyl-ethyl] butanoate CAS Name: butanoic acid 1-[[1-(5-hexyl-2-pyrimidinyl)-4-phenyl-1-cyclohexa-2,5-dienyl]oxy]propan-2-yl ester IUPAC Name: 1-[1-(5-hexylpyrimidin-2-yl)-4-phenylcyclohexa-2,5-dien-1-yl]oxypropan-2-yl butanoate Traditional Name: butyric acid [2-[1-(5-hexylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]oxy-1-methyl-ethyl] ester Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OCC(C)OC(=O)CCC

InChI

InChI=1S/C29H38N2O3/c1-4-6-7-9-13-24-20-30-28(31-21-24)29(33-22-23(3)34-27(32)12-5-2)18-16-26(17-19-29)25-14-10-8-11-15-25/h8,10-11,14-21,23,26H,4-7,9,12-13,22H2,1-3H3