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3-cyano-3-[4-(2-cyanohexylamino)phenyl]propanoic acid

3-cyano-3-[4-(2-cyanohexylamino)phenyl]propanoic acid

Systemtic Name:3-cyano-3-[4-(2-cyanohexylamino)phenyl]propanoic acid
Openeye Name:3-cyano-3-[4-(2-cyanohexylamino)phenyl]propanoic acid
CAS Name:3-cyano-3-[4-(2-cyanohexylamino)phenyl]propanoic acid
IUPAC Name:3-cyano-3-[4-(2-cyanohexylamino)phenyl]propanoic acid
Traditional Name:3-cyano-3-[4-(2-cyanohexylamino)phenyl]propionic acid
Formula: C17H21N3O2
MolecularWeight: 299.36754
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC1=CC=C(C=C1)C(CC(=O)O)C#N)C#N


Isomeric SMILES

CCCCC(CNC1=CC=C(C=C1)C(CC(=O)O)C#N)C#N


InChI

InChI=1S/C17H21N3O2/c1-2-3-4-13(10-18)12-20-16-7-5-14(6-8-16)15(11-19)9-17(21)22/h5-8,13,15,20H,2-4,9,12H2,1H3,(H,21,22)


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