[2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] 4-methylhexanoate

Systemtic Name: [2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] 4-methylhexanoate Openeye Name: [2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-[5-(heptoxymethyl)-4-pyrimidinyl]phenyl] ester IUPAC Name: [2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1=CN=CN=C1C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCOCC1=CN=CN=C1C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-11-16-29-18-21-17-26-19-27-25(21)22-12-9-10-13-23(22)30-24(28)15-14-20(3)5-2/h9-10,12-13,17,19-20H,4-8,11,14-16,18H2,1-3H3