[4-[4-(5-cyanopyrimidin-2-yl)phenyl]phenyl] heptanoate

Systemtic Name: [4-[4-(5-cyanopyrimidin-2-yl)phenyl]phenyl] heptanoate Openeye Name: [4-[4-(5-cyanopyrimidin-2-yl)phenyl]phenyl] heptanoate CAS Name: heptanoic acid [4-[4-(5-cyano-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-cyanopyrimidin-2-yl)phenyl]phenyl] heptanoate Traditional Name: enanthic acid [4-[4-(5-cyanopyrimidin-2-yl)phenyl]phenyl] ester Formula: C24H23N3O2 MolecularWeight: 385.45832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

Isomeric SMILES

CCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

InChI

InChI=1S/C24H23N3O2/c1-2-3-4-5-6-23(28)29-22-13-11-20(12-14-22)19-7-9-21(10-8-19)24-26-16-18(15-25)17-27-24/h7-14,16-17H,2-6H2,1H3