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

Systemtic Name: [2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] 2-methylbutanoate Openeye Name: [2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-[5-(heptoxymethyl)-4-pyrimidinyl]phenyl] ester IUPAC Name: [2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-4-6-7-8-11-14-27-16-19-15-24-17-25-22(19)20-12-9-10-13-21(20)28-23(26)18(3)5-2/h9-10,12-13,15,17-18H,4-8,11,14,16H2,1-3H3