7-chloranyl-1-ethyl-4-oxidanylidene-6-(4-phenylbutan-2-ylamino)quinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-1-ethyl-4-oxidanylidene-6-(4-phenylbutan-2-ylamino)quinoline-3-carboxylic acid Openeye Name: 7-chloro-1-ethyl-6-[(1-methyl-3-phenyl-propyl)amino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-chloro-1-ethyl-4-oxo-6-(4-phenylbutan-2-ylamino)-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-1-ethyl-4-oxo-6-(4-phenylbutan-2-ylamino)quinoline-3-carboxylic acid Traditional Name: 7-chloro-1-ethyl-4-keto-6-[(1-methyl-3-phenyl-propyl)amino]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)NC(C)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)NC(C)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23ClN2O3/c1-3-25-13-17(22(27)28)21(26)16-11-19(18(23)12-20(16)25)24-14(2)9-10-15-7-5-4-6-8-15/h4-8,11-14,24H,3,9-10H2,1-2H3,(H,27,28)