6-butan-2-yl-2-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 6-butan-2-yl-2-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-ethyl-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-ethyl-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-ethylquinoline-4-carboxylic acid Traditional Name: 2-ethyl-6-sec-butyl-cinchoninic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)C(C)CC)C(=C1)C(=O)O

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2)C(C)CC)C(=C1)C(=O)O

InChI

InChI=1S/C16H19NO2/c1-4-10(3)11-6-7-15-13(8-11)14(16(18)19)9-12(5-2)17-15/h6-10H,4-5H2,1-3H3,(H,18,19)