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[4-[5-(6-octoxypyridin-3-yl)pyrimidin-2-yl]phenyl] 3-propyloxirane-2-carboxylate

[4-[5-(6-octoxypyridin-3-yl)pyrimidin-2-yl]phenyl] 3-propyloxirane-2-carboxylate

Systemtic Name:[4-[5-(6-octoxypyridin-3-yl)pyrimidin-2-yl]phenyl] 3-propyloxirane-2-carboxylate
Openeye Name:[4-[5-(6-octoxy-3-pyridyl)pyrimidin-2-yl]phenyl] 3-propyloxirane-2-carboxylate
CAS Name:3-propyl-2-oxiranecarboxylic acid [4-[5-(6-octoxy-3-pyridinyl)-2-pyrimidinyl]phenyl] ester
IUPAC Name:[4-[5-(6-octoxypyridin-3-yl)pyrimidin-2-yl]phenyl] 3-propyloxirane-2-carboxylate
Traditional Name:3-propyloxirane-2-carboxylic acid [4-[5-(6-octoxy-3-pyridyl)pyrimidin-2-yl]phenyl] ester
Formula: C29H35N3O4
MolecularWeight: 489.6059
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4C(O4)CCC


Isomeric SMILES

CCCCCCCCOC1=NC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4C(O4)CCC


InChI

InChI=1S/C29H35N3O4/c1-3-5-6-7-8-9-17-34-26-16-13-22(18-30-26)23-19-31-28(32-20-23)21-11-14-24(15-12-21)35-29(33)27-25(36-27)10-4-2/h11-16,18-20,25,27H,3-10,17H2,1-2H3


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