1-(4-methylhexoxy)propan-2-yl 4-[4-(5-nonoxypyrimidin-2-yl)phenyl]benzoate

Systemtic Name: 1-(4-methylhexoxy)propan-2-yl 4-[4-(5-nonoxypyrimidin-2-yl)phenyl]benzoate Openeye Name: [1-methyl-2-(4-methylhexoxy)ethyl] 4-[4-(5-nonoxypyrimidin-2-yl)phenyl]benzoate CAS Name: 4-[4-(5-nonoxy-2-pyrimidinyl)phenyl]benzoic acid 1-(4-methylhexoxy)propan-2-yl ester IUPAC Name: 1-(4-methylhexoxy)propan-2-yl 4-[4-(5-nonoxypyrimidin-2-yl)phenyl]benzoate Traditional Name: 4-[4-(5-nonoxypyrimidin-2-yl)phenyl]benzoic acid [1-methyl-2-(4-methylhexoxy)ethyl] ester Formula: C36H50N2O4 MolecularWeight: 574.7932

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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)OC(C)COCCCC(C)CC

Isomeric SMILES

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C)COCCCC(C)CC

InChI

InChI=1S/C36H50N2O4/c1-5-7-8-9-10-11-12-24-41-34-25-37-35(38-26-34)32-19-15-30(16-20-32)31-17-21-33(22-18-31)36(39)42-29(4)27-40-23-13-14-28(3)6-2/h15-22,25-26,28-29H,5-14,23-24,27H2,1-4H3