2-[3-cyano-4-(2-methylpropylamino)phenyl]pyridine-4-carboxylic acid

Systemtic Name: 2-[3-cyano-4-(2-methylpropylamino)phenyl]pyridine-4-carboxylic acid Openeye Name: 2-[3-cyano-4-(isobutylamino)phenyl]pyridine-4-carboxylic acid CAS Name: 2-[3-cyano-4-(2-methylpropylamino)phenyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[3-cyano-4-(2-methylpropylamino)phenyl]pyridine-4-carboxylic acid Traditional Name: 2-[3-cyano-4-(isobutylamino)phenyl]isonicotinic acid Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=C(C=C1)C2=NC=CC(=C2)C(=O)O)C#N

Isomeric SMILES

CC(C)CNC1=C(C=C(C=C1)C2=NC=CC(=C2)C(=O)O)C#N

InChI

InChI=1S/C17H17N3O2/c1-11(2)10-20-15-4-3-12(7-14(15)9-18)16-8-13(17(21)22)5-6-19-16/h3-8,11,20H,10H2,1-2H3,(H,21,22)