1-[1-(5-butylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]oxypropan-2-yl pentanoate

Systemtic Name: 1-[1-(5-butylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]oxypropan-2-yl pentanoate Openeye Name: [2-[1-(5-butylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]oxy-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[[1-(5-butyl-2-pyrimidinyl)-4-phenyl-1-cyclohexa-2,5-dienyl]oxy]propan-2-yl ester IUPAC Name: 1-[1-(5-butylpyrimidin-2-yl)-4-phenylcyclohexa-2,5-dien-1-yl]oxypropan-2-yl pentanoate Traditional Name: valeric acid [2-[1-(5-butylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl]oxy-1-methyl-ethyl] ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C28H36N2O3/c1-4-6-11-23-19-29-27(30-20-23)28(32-21-22(3)33-26(31)14-7-5-2)17-15-25(16-18-28)24-12-9-8-10-13-24/h8-10,12-13,15-20,22,25H,4-7,11,14,21H2,1-3H3