[4-(5-nonylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate CAS Name: 3-heptoxy-2-methylpropanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methylpropanoate Traditional Name: 3-heptoxy-2-methyl-propionic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C30H46N2O3 MolecularWeight: 482.69784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCCCCCC

InChI

InChI=1S/C30H46N2O3/c1-4-6-8-10-11-12-14-16-26-22-31-29(32-23-26)27-17-19-28(20-18-27)35-30(33)25(3)24-34-21-15-13-9-7-5-2/h17-20,22-23,25H,4-16,21,24H2,1-3H3