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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxy-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxy-benzoate CAS Name: 3-cyano-4-nonoxybenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxybenzoate Traditional Name: 3-cyano-4-nonoxy-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C34H43N3O3 MolecularWeight: 541.72352

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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)CCCCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C34H43N3O3/c1-3-5-7-9-10-12-14-22-39-32-21-18-29(23-30(32)24-35)34(38)40-31-19-16-28(17-20-31)33-36-25-27(26-37-33)15-13-11-8-6-4-2/h16-21,23,25-26H,3-15,22H2,1-2H3