3-cyanoheptyl 4-[4-(5-nonoxypyrimidin-2-yl)phenyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(CCCC)C#N

Isomeric SMILES

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(CCCC)C#N

InChI

InChI=1S/C34H43N3O3/c1-3-5-7-8-9-10-11-22-39-32-25-36-33(37-26-32)30-17-13-28(14-18-30)29-15-19-31(20-16-29)34(38)40-23-21-27(24-35)12-6-4-2/h13-20,25-27H,3-12,21-23H2,1-2H3