1-[4-[5-(4-nonylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl pentanoate

Systemtic Name: 1-[4-[5-(4-nonylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-[5-(4-nonylphenyl)pyrimidin-2-yl]phenoxy]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-[5-(4-nonylphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-nonylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-[5-(4-nonylphenyl)pyrimidin-2-yl]phenoxy]ethyl] ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

InChI

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