[2-(5-nonylpyrimidin-2-yl)phenyl] 3-propoxypropanoate

Systemtic Name: [2-(5-nonylpyrimidin-2-yl)phenyl] 3-propoxypropanoate Openeye Name: [2-(5-nonylpyrimidin-2-yl)phenyl] 3-propoxypropanoate CAS Name: 3-propoxypropanoic acid [2-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-nonylpyrimidin-2-yl)phenyl] 3-propoxypropanoate Traditional Name: 3-propoxypropionic acid [2-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OC(=O)CCOCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OC(=O)CCOCCC

InChI

InChI=1S/C25H36N2O3/c1-3-5-6-7-8-9-10-13-21-19-26-25(27-20-21)22-14-11-12-15-23(22)30-24(28)16-18-29-17-4-2/h11-12,14-15,19-20H,3-10,13,16-18H2,1-2H3