2-heptan-2-ylquinoline-3-carboxylic acid

Systemtic Name: 2-heptan-2-ylquinoline-3-carboxylic acid Openeye Name: 2-(1-methylhexyl)quinoline-3-carboxylic acid CAS Name: 2-heptan-2-yl-3-quinolinecarboxylic acid IUPAC Name: 2-heptan-2-ylquinoline-3-carboxylic acid Traditional Name: 2-(1-methylhexyl)quinoline-3-carboxylic acid Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=NC2=CC=CC=C2C=C1C(=O)O

Isomeric SMILES

CCCCCC(C)C1=NC2=CC=CC=C2C=C1C(=O)O

InChI

InChI=1S/C17H21NO2/c1-3-4-5-8-12(2)16-14(17(19)20)11-13-9-6-7-10-15(13)18-16/h6-7,9-12H,3-5,8H2,1-2H3,(H,19,20)