[2-[5-(4-octoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] 4-methylheptanoate

Systemtic Name: [2-[5-(4-octoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] 4-methylheptanoate Openeye Name: [2-[5-(4-octoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] 4-methylheptanoate CAS Name: 4-methylheptanoic acid [2-[5-[4-[octoxy(oxo)methoxy]phenyl]-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-[5-(4-octoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] 4-methylheptanoate Traditional Name: 4-methylenanthic acid [2-[5-(4-octoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C33H42N2O5 MolecularWeight: 546.69698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=CC=C3OC(=O)CCC(C)CCC

Isomeric SMILES

CCCCCCCCOC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=CC=C3OC(=O)CCC(C)CCC

InChI

InChI=1S/C33H42N2O5/c1-4-6-7-8-9-12-22-38-33(37)39-28-19-17-26(18-20-28)27-23-34-32(35-24-27)29-14-10-11-15-30(29)40-31(36)21-16-25(3)13-5-2/h10-11,14-15,17-20,23-25H,4-9,12-13,16,21-22H2,1-3H3