2-heptan-2-yloxyethyl 4-[4-(5-heptylpyrimidin-2-yl)phenyl]benzoate

Systemtic Name: 2-heptan-2-yloxyethyl 4-[4-(5-heptylpyrimidin-2-yl)phenyl]benzoate Openeye Name: 2-(1-methylhexoxy)ethyl 4-[4-(5-heptylpyrimidin-2-yl)phenyl]benzoate CAS Name: 4-[4-(5-heptyl-2-pyrimidinyl)phenyl]benzoic acid 2-heptan-2-yloxyethyl ester IUPAC Name: 2-heptan-2-yloxyethyl 4-[4-(5-heptylpyrimidin-2-yl)phenyl]benzoate Traditional Name: 4-[4-(5-heptylpyrimidin-2-yl)phenyl]benzoic acid 2-(1-methylhexoxy)ethyl ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCOC(C)CCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCOC(C)CCCCC

InChI

InChI=1S/C33H44N2O3/c1-4-6-8-9-11-13-27-24-34-32(35-25-27)30-18-14-28(15-19-30)29-16-20-31(21-17-29)33(36)38-23-22-37-26(3)12-10-7-5-2/h14-21,24-26H,4-13,22-23H2,1-3H3