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

Systemtic Name: [4-[5-(4-octoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] 2-methylheptanoate Openeye Name: [4-[5-(4-octoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] 2-methylheptanoate CAS Name: 2-methylheptanoic acid [4-[5-[4-[octoxy(oxo)methoxy]phenyl]-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-octoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] 2-methylheptanoate Traditional Name: 2-methylenanthic acid [4-[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=C(C=C3)OC(=O)C(C)CCCCC

Isomeric SMILES

CCCCCCCCOC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCCC

InChI

InChI=1S/C33H42N2O5/c1-4-6-8-9-10-12-22-38-33(37)40-30-18-14-26(15-19-30)28-23-34-31(35-24-28)27-16-20-29(21-17-27)39-32(36)25(3)13-11-7-5-2/h14-21,23-25H,4-13,22H2,1-3H3