5-[4-(5-decoxypyrimidin-2-yl)phenyl]pentan-2-yl nonanoate

Systemtic Name: 5-[4-(5-decoxypyrimidin-2-yl)phenyl]pentan-2-yl nonanoate Openeye Name: [4-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-butyl] nonanoate CAS Name: nonanoic acid 5-[4-(5-decoxy-2-pyrimidinyl)phenyl]pentan-2-yl ester IUPAC Name: 5-[4-(5-decoxypyrimidin-2-yl)phenyl]pentan-2-yl nonanoate Traditional Name: pelargonic acid [4-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-butyl] ester Formula: C34H54N2O3 MolecularWeight: 538.80416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCC(C)OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCC(C)OC(=O)CCCCCCCC

InChI

InChI=1S/C34H54N2O3/c1-4-6-8-10-12-13-15-17-26-38-32-27-35-34(36-28-32)31-24-22-30(23-25-31)20-18-19-29(3)39-33(37)21-16-14-11-9-7-5-2/h22-25,27-29H,4-21,26H2,1-3H3