1-[4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 3-methylheptanoate

Systemtic Name: 1-[4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 3-methylheptanoate Openeye Name: [1-methyl-2-[4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenoxy]ethyl] 3-methylheptanoate CAS Name: 3-methylheptanoic acid 1-[4-[5-(4-octoxyphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 3-methylheptanoate Traditional Name: 3-methylenanthic acid [1-methyl-2-[4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenoxy]ethyl] ester Formula: C35H48N2O4 MolecularWeight: 560.76662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CC(C)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CC(C)CCCC

InChI

InChI=1S/C35H48N2O4/c1-5-7-9-10-11-12-22-39-32-18-14-29(15-19-32)31-24-36-35(37-25-31)30-16-20-33(21-17-30)40-26-28(4)41-34(38)23-27(3)13-8-6-2/h14-21,24-25,27-28H,5-13,22-23,26H2,1-4H3