1-[2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl nonanoate

Systemtic Name: 1-[2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl nonanoate Openeye Name: [1-methyl-2-[2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl]oxy-ethyl] nonanoate CAS Name: nonanoic acid 1-[[2-[4-(4-pentylphenyl)phenyl]-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl nonanoate Traditional Name: pelargonic acid [2-[2-[4-(4-amylphenyl)phenyl]pyrimidin-5-yl]oxy-1-methyl-ethyl] ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC(C)COC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC(C)COC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C33H44N2O3/c1-4-6-8-9-10-12-14-32(36)38-26(3)25-37-31-23-34-33(35-24-31)30-21-19-29(20-22-30)28-17-15-27(16-18-28)13-11-7-5-2/h15-24,26H,4-14,25H2,1-3H3