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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxy-benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxy-benzoate CAS Name: 3-cyano-4-nonoxybenzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxybenzoate Traditional Name: 3-cyano-4-nonoxy-benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C32H39N3O3 MolecularWeight: 513.67036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N

InChI

InChI=1S/C32H39N3O3/c1-3-5-7-8-9-10-12-20-37-30-19-16-27(21-28(30)22-33)32(36)38-29-17-14-26(15-18-29)31-34-23-25(24-35-31)13-11-6-4-2/h14-19,21,23-24H,3-13,20H2,1-2H3