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

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

Click to see the large picture

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)CCCCCC

Isomeric SMILES

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

InChI

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