2-(3-cyano-2-oxidanylidene-4-piperidin-1-yl-quinolin-1-yl)ethanoic acid

Systemtic Name: 2-(3-cyano-2-oxidanylidene-4-piperidin-1-yl-quinolin-1-yl)ethanoic acid Openeye Name: 2-[3-cyano-2-oxo-4-(1-piperidyl)-1-quinolyl]acetic acid CAS Name: 2-[3-cyano-2-oxo-4-(1-piperidinyl)-1-quinolinyl]acetic acid IUPAC Name: 2-(3-cyano-2-oxo-4-piperidin-1-ylquinolin-1-yl)acetic acid Traditional Name: 2-(3-cyano-2-keto-4-piperidino-1-quinolyl)acetic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)CC(=O)O)C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)CC(=O)O)C#N

InChI

InChI=1S/C17H17N3O3/c18-10-13-16(19-8-4-1-5-9-19)12-6-2-3-7-14(12)20(17(13)23)11-15(21)22/h2-3,6-7H,1,4-5,8-9,11H2,(H,21,22)