3-[(1-cyanoindolizin-2-yl)methylamino]propanoic acid

Systemtic Name: 3-[(1-cyanoindolizin-2-yl)methylamino]propanoic acid Openeye Name: 3-[(1-cyanoindolizin-2-yl)methylamino]propanoic acid CAS Name: 3-[(1-cyano-2-indolizinyl)methylamino]propanoic acid IUPAC Name: 3-[(1-cyanoindolizin-2-yl)methylamino]propanoic acid Traditional Name: 3-[(1-cyanoindolizin-2-yl)methylamino]propionic acid Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)CNCCC(=O)O)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)CNCCC(=O)O)C#N

InChI

InChI=1S/C13H13N3O2/c14-7-11-10(8-15-5-4-13(17)18)9-16-6-2-1-3-12(11)16/h1-3,6,9,15H,4-5,8H2,(H,17,18)