2-(3-methylbutylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-(3-methylbutylamino)quinoline-4-carboxylic acid Openeye Name: 2-(isopentylamino)quinoline-4-carboxylic acid CAS Name: 2-(3-methylbutylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methylbutylamino)quinoline-4-carboxylic acid Traditional Name: 2-(isoamylamino)cinchoninic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CC(C)CCNC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C15H18N2O2/c1-10(2)7-8-16-14-9-12(15(18)19)11-5-3-4-6-13(11)17-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)(H,18,19)