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

Systemtic Name: 1-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl heptanoate Openeye Name: [1-methyl-2-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]ethyl] heptanoate CAS Name: heptanoic acid 1-[4-[2-(4-nonylphenyl)-5-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl heptanoate Traditional Name: enanthic acid [1-methyl-2-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]ethyl] ester Formula: C35H48N2O3 MolecularWeight: 544.76722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCCC

InChI

InChI=1S/C35H48N2O3/c1-4-6-8-10-11-12-13-15-29-17-19-31(20-18-29)35-36-25-32(26-37-35)30-21-23-33(24-22-30)39-27-28(3)40-34(38)16-14-9-7-5-2/h17-26,28H,4-16,27H2,1-3H3