methyl (3S)-3-azanyl-3-[5-(2-phenylethynyl)pyridin-3-yl]propanoate

Systemtic Name: methyl (3S)-3-azanyl-3-[5-(2-phenylethynyl)pyridin-3-yl]propanoate Openeye Name: methyl (3S)-3-amino-3-[5-(2-phenylethynyl)-3-pyridyl]propanoate CAS Name: (3S)-3-amino-3-[5-(2-phenylethynyl)-3-pyridinyl]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-amino-3-[5-(2-phenylethynyl)pyridin-3-yl]propanoate Traditional Name: (3S)-3-amino-3-[5-(2-phenylethynyl)-3-pyridyl]propionic acid methyl ester Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CN=CC(=C1)C#CC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C[C@@H](C1=CN=CC(=C1)C#CC2=CC=CC=C2)N

InChI

InChI=1S/C17H16N2O2/c1-21-17(20)10-16(18)15-9-14(11-19-12-15)8-7-13-5-3-2-4-6-13/h2-6,9,11-12,16H,10,18H2,1H3/t16-/m0/s1