2-butyl-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-butyl-3-methyl-quinoline-4-carboxylic acid Openeye Name: 2-butyl-3-methyl-quinoline-4-carboxylic acid CAS Name: 2-butyl-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-butyl-3-methylquinoline-4-carboxylic acid Traditional Name: 2-butyl-3-methyl-cinchoninic acid Formula: C15H17NO2 MolecularWeight: 243.30098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1C)C(=O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1C)C(=O)O

InChI

InChI=1S/C15H17NO2/c1-3-4-8-12-10(2)14(15(17)18)11-7-5-6-9-13(11)16-12/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)