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

Systemtic Name: [2-[5-(4-phenylmethoxyphenyl)pyrimidin-2-yl]phenyl] 4-methylheptanoate Openeye Name: [2-[5-(4-benzyloxyphenyl)pyrimidin-2-yl]phenyl] 4-methylheptanoate CAS Name: 4-methylheptanoic acid [2-[5-(4-phenylmethoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-[5-(4-phenylmethoxyphenyl)pyrimidin-2-yl]phenyl] 4-methylheptanoate Traditional Name: 4-methylenanthic acid [2-[5-(4-benzoxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C31H32N2O3 MolecularWeight: 480.59738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCC(=O)OC1=CC=CC=C1C2=NC=C(C=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCC(C)CCC(=O)OC1=CC=CC=C1C2=NC=C(C=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H32N2O3/c1-3-9-23(2)14-19-30(34)36-29-13-8-7-12-28(29)31-32-20-26(21-33-31)25-15-17-27(18-16-25)35-22-24-10-5-4-6-11-24/h4-8,10-13,15-18,20-21,23H,3,9,14,19,22H2,1-2H3