3-cyano-2-(quinolin-2-ylmethylamino)propanoic acid

Systemtic Name: 3-cyano-2-(quinolin-2-ylmethylamino)propanoic acid Openeye Name: 3-cyano-2-(2-quinolylmethylamino)propanoic acid CAS Name: 3-cyano-2-(2-quinolinylmethylamino)propanoic acid IUPAC Name: 3-cyano-2-(quinolin-2-ylmethylamino)propanoic acid Traditional Name: 3-cyano-2-(2-quinolylmethylamino)propionic acid Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CNC(CC#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CNC(CC#N)C(=O)O

InChI

InChI=1S/C14H13N3O2/c15-8-7-13(14(18)19)16-9-11-6-5-10-3-1-2-4-12(10)17-11/h1-6,13,16H,7,9H2,(H,18,19)