[4-(5-nonylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate CAS Name: 3-pentoxypropanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate Traditional Name: 3-amoxypropionic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3/c1-3-5-7-8-9-10-11-13-23-21-28-27(29-22-23)24-14-16-25(17-15-24)32-26(30)18-20-31-19-12-6-4-2/h14-17,21-22H,3-13,18-20H2,1-2H3