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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-heptyl-benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-heptyl-benzoate CAS Name: 3-cyano-4-heptylbenzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-heptylbenzoate Traditional Name: 3-cyano-4-heptyl-benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C30H35N3O2 MolecularWeight: 469.6178

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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)CCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O2/c1-3-5-7-8-10-12-24-13-14-26(19-27(24)20-31)30(34)35-28-17-15-25(16-18-28)29-32-21-23(22-33-29)11-9-6-4-2/h13-19,21-22H,3-12H2,1-2H3