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

Systemtic Name: [4-(5-heptylpyridin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate Openeye Name: [4-(5-heptyl-2-pyridyl)phenyl] 2-methyl-3-propoxy-propanoate CAS Name: 2-methyl-3-propoxypropanoic acid [4-(5-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyridin-2-yl)phenyl] 2-methyl-3-propoxypropanoate Traditional Name: 2-methyl-3-propoxy-propionic acid [4-(5-heptyl-2-pyridyl)phenyl] ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCC

InChI

InChI=1S/C25H35NO3/c1-4-6-7-8-9-10-21-11-16-24(26-18-21)22-12-14-23(15-13-22)29-25(27)20(3)19-28-17-5-2/h11-16,18,20H,4-10,17,19H2,1-3H3