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

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-heptoxy-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-heptoxy-benzoate CAS Name: 3-cyano-4-heptoxybenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-heptoxybenzoate Traditional Name: 3-cyano-4-heptoxy-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)C#N

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)C#N

InChI

InChI=1S/C28H31N3O3/c1-3-5-6-7-8-16-33-26-15-12-23(17-24(26)18-29)28(32)34-25-13-10-22(11-14-25)27-30-19-21(9-4-2)20-31-27/h10-15,17,19-20H,3-9,16H2,1-2H3