[4-(5-octylpyrimidin-2-yl)phenyl] hepta-2,4,6-triynoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] hepta-2,4,6-triynoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] hepta-2,4,6-triynoate CAS Name: hepta-2,4,6-triynoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] hepta-2,4,6-triynoate Traditional Name: hepta-2,4,6-triynoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C25H24N2O2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C#CC#CC#C

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C#CC#CC#C

InChI

InChI=1S/C25H24N2O2/c1-3-5-7-9-10-11-13-21-19-26-25(27-20-21)22-15-17-23(18-16-22)29-24(28)14-12-8-6-4-2/h2,15-20H,3,5,7,9-11,13H2,1H3