2-[7-cyano-1-(2-methylpropyl)indol-5-yl]pyridine-4-carboxylic acid

Systemtic Name: 2-[7-cyano-1-(2-methylpropyl)indol-5-yl]pyridine-4-carboxylic acid Openeye Name: 2-(7-cyano-1-isobutyl-indol-5-yl)pyridine-4-carboxylic acid CAS Name: 2-[7-cyano-1-(2-methylpropyl)-5-indolyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[7-cyano-1-(2-methylpropyl)indol-5-yl]pyridine-4-carboxylic acid Traditional Name: 2-(7-cyano-1-isobutyl-indol-5-yl)isonicotinic acid Formula: C19H17N3O2 MolecularWeight: 319.35718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=CC2=C1C(=CC(=C2)C3=NC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

CC(C)CN1C=CC2=C1C(=CC(=C2)C3=NC=CC(=C3)C(=O)O)C#N

InChI

InChI=1S/C19H17N3O2/c1-12(2)11-22-6-4-13-7-15(8-16(10-20)18(13)22)17-9-14(19(23)24)3-5-21-17/h3-9,12H,11H2,1-2H3,(H,23,24)