[4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-heptyl-benzoate

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-heptyl-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-heptyl-benzoate CAS Name: 3-cyano-4-heptylbenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-heptylbenzoate Traditional Name: 3-cyano-4-heptyl-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)C#N

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)C#N

InChI

InChI=1S/C28H31N3O2/c1-3-5-6-7-8-10-22-11-12-24(17-25(22)18-29)28(32)33-26-15-13-23(14-16-26)27-30-19-21(9-4-2)20-31-27/h11-17,19-20H,3-10H2,1-2H3