6-butyl-2-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-isopropyl-quinoline-4-carboxylic acid CAS Name: 6-butyl-2-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 6-butyl-2-isopropyl-cinchoninic acid Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C(C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C(C)C

InChI

InChI=1S/C17H21NO2/c1-4-5-6-12-7-8-15-13(9-12)14(17(19)20)10-16(18-15)11(2)3/h7-11H,4-6H2,1-3H3,(H,19,20)