(2S)-3-methyl-2-(3-pyridin-4-ylpropoxy)butanoate

Systemtic Name: (2S)-3-methyl-2-(3-pyridin-4-ylpropoxy)butanoate Openeye Name: (2S)-3-methyl-2-[3-(4-pyridyl)propoxy]butanoate CAS Name: (2S)-3-methyl-2-(3-pyridin-4-ylpropoxy)butanoate IUPAC Name: (2S)-3-methyl-2-(3-pyridin-4-ylpropoxy)butanoate Traditional Name: (2S)-3-methyl-2-[3-(4-pyridyl)propoxy]butyrate Formula: C13H18NO3- MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])OCCCC1=CC=NC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])OCCCC1=CC=NC=C1

InChI

InChI=1S/C13H19NO3/c1-10(2)12(13(15)16)17-9-3-4-11-5-7-14-8-6-11/h5-8,10,12H,3-4,9H2,1-2H3,(H,15,16)/p-1/t12-/m0/s1