1-[2-[(4-azanyl-5-cyano-6-ethoxy-pyridin-2-yl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(4-azanyl-5-cyano-6-ethoxy-pyridin-2-yl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridyl)amino]-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridyl)amino]-2-keto-ethyl]isonipecotic acid Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=N1)NC(=O)CN2CCC(CC2)C(=O)O)N)C#N

Isomeric SMILES

CCOC1=C(C(=CC(=N1)NC(=O)CN2CCC(CC2)C(=O)O)N)C#N

InChI

InChI=1S/C16H21N5O4/c1-2-25-15-11(8-17)12(18)7-13(20-15)19-14(22)9-21-5-3-10(4-6-21)16(23)24/h7,10H,2-6,9H2,1H3,(H,23,24)(H3,18,19,20,22)