2-ethyl-4-[2-[5-(heptoxymethyl)pyrimidin-4-yl]phenoxy]butanenitrile

Systemtic Name: 2-ethyl-4-[2-[5-(heptoxymethyl)pyrimidin-4-yl]phenoxy]butanenitrile Openeye Name: 2-ethyl-4-[2-[5-(heptoxymethyl)pyrimidin-4-yl]phenoxy]butanenitrile CAS Name: 2-ethyl-4-[2-[5-(heptoxymethyl)-4-pyrimidinyl]phenoxy]butanenitrile IUPAC Name: 2-ethyl-4-[2-[5-(heptoxymethyl)pyrimidin-4-yl]phenoxy]butanenitrile Traditional Name: 2-ethyl-4-[2-[5-(heptoxymethyl)pyrimidin-4-yl]phenoxy]butyronitrile Formula: C24H33N3O2 MolecularWeight: 395.53772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1=CN=CN=C1C2=CC=CC=C2OCCC(CC)C#N

Isomeric SMILES

CCCCCCCOCC1=CN=CN=C1C2=CC=CC=C2OCCC(CC)C#N

InChI

InChI=1S/C24H33N3O2/c1-3-5-6-7-10-14-28-18-21-17-26-19-27-24(21)22-11-8-9-12-23(22)29-15-13-20(4-2)16-25/h8-9,11-12,17,19-20H,3-7,10,13-15,18H2,1-2H3