[4-(5-nonylpyridin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate

Systemtic Name: [4-(5-nonylpyridin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate Openeye Name: [4-(5-nonyl-2-pyridyl)phenyl] 2-methyl-3-propoxy-propanoate CAS Name: 2-methyl-3-propoxypropanoic acid [4-(5-nonyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyridin-2-yl)phenyl] 2-methyl-3-propoxypropanoate Traditional Name: 2-methyl-3-propoxy-propionic acid [4-(5-nonyl-2-pyridyl)phenyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCC

InChI

InChI=1S/C27H39NO3/c1-4-6-7-8-9-10-11-12-23-13-18-26(28-20-23)24-14-16-25(17-15-24)31-27(29)22(3)21-30-19-5-2/h13-18,20,22H,4-12,19,21H2,1-3H3