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

Systemtic Name: [4-(5-butylpyridin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate Openeye Name: [4-(5-butyl-2-pyridyl)phenyl] 2-methyl-3-propoxy-propanoate CAS Name: 2-methyl-3-propoxypropanoic acid [4-(5-butyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-butylpyridin-2-yl)phenyl] 2-methyl-3-propoxypropanoate Traditional Name: 2-methyl-3-propoxy-propionic acid [4-(5-butyl-2-pyridyl)phenyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCC

Isomeric SMILES

CCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCC

InChI

InChI=1S/C22H29NO3/c1-4-6-7-18-8-13-21(23-15-18)19-9-11-20(12-10-19)26-22(24)17(3)16-25-14-5-2/h8-13,15,17H,4-7,14,16H2,1-3H3