[4-(5-nonylpyrimidin-2-yl)phenyl] 2-octoxypropanoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-octoxypropanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-octoxypropanoate CAS Name: 2-octoxypropanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-octoxypropanoate Traditional Name: 2-octoxypropionic 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)OCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O3/c1-4-6-8-10-12-13-15-17-26-23-31-29(32-24-26)27-18-20-28(21-19-27)35-30(33)25(3)34-22-16-14-11-9-7-5-2/h18-21,23-25H,4-17,22H2,1-3H3