6-chloranyl-1-cyclopropyl-2-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-cyclopropyl-2-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-cyclopropyl-2-(1-ethylhexyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-chloro-1-cyclopropyl-2-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-cyclopropyl-2-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-cyclopropyl-2-(1-ethylhexyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C(=O)C2=C(N1C3CC3)C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CCCCCC(CC)C1=C(C(=O)C2=C(N1C3CC3)C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C21H26ClNO3/c1-3-5-6-7-13(4-2)19-18(21(25)26)20(24)16-12-14(22)8-11-17(16)23(19)15-9-10-15/h8,11-13,15H,3-7,9-10H2,1-2H3,(H,25,26)