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

Systemtic Name: [4-[4-(2-cyanopyrimidin-5-yl)phenyl]phenyl] heptanoate Openeye Name: [4-[4-(2-cyanopyrimidin-5-yl)phenyl]phenyl] heptanoate CAS Name: heptanoic acid [4-[4-(2-cyano-5-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-cyanopyrimidin-5-yl)phenyl]phenyl] heptanoate Traditional Name: enanthic acid [4-[4-(2-cyanopyrimidin-5-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=CN=C(N=C3)C#N

Isomeric SMILES

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

InChI

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