7-chloranyl-1-ethyl-4-oxidanylidene-6-(4-phenylbutylamino)quinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-1-ethyl-4-oxidanylidene-6-(4-phenylbutylamino)quinoline-3-carboxylic acid Openeye Name: 7-chloro-1-ethyl-4-oxo-6-(4-phenylbutylamino)quinoline-3-carboxylic acid CAS Name: 7-chloro-1-ethyl-4-oxo-6-(4-phenylbutylamino)-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-1-ethyl-4-oxo-6-(4-phenylbutylamino)quinoline-3-carboxylic acid Traditional Name: 7-chloro-1-ethyl-4-keto-6-(4-phenylbutylamino)quinoline-3-carboxylic acid Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)NCCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)NCCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23ClN2O3/c1-2-25-14-17(22(27)28)21(26)16-12-19(18(23)13-20(16)25)24-11-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,24H,2,6-7,10-11H2,1H3,(H,27,28)