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4-[(1-cyanoindolizin-2-yl)methylamino]butanoic acid

4-[(1-cyanoindolizin-2-yl)methylamino]butanoic acid

Systemtic Name:4-[(1-cyanoindolizin-2-yl)methylamino]butanoic acid
Openeye Name:4-[(1-cyanoindolizin-2-yl)methylamino]butanoic acid
CAS Name:4-[(1-cyano-2-indolizinyl)methylamino]butanoic acid
IUPAC Name:4-[(1-cyanoindolizin-2-yl)methylamino]butanoic acid
Traditional Name:4-[(1-cyanoindolizin-2-yl)methylamino]butyric acid
Formula: C14H15N3O2
MolecularWeight: 257.2878
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H15N3O2/c15-8-12-11(9-16-6-3-5-14(18)19)10-17-7-2-1-4-13(12)17/h1-2,4,7,10,16H,3,5-6,9H2,(H,18,19)


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