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

Systemtic Name: 7-chloranyl-1-ethyl-4-oxidanylidene-6-(3-phenylpropylamino)quinoline-3-carboxylic acid Openeye Name: 7-chloro-1-ethyl-4-oxo-6-(3-phenylpropylamino)quinoline-3-carboxylic acid CAS Name: 7-chloro-1-ethyl-4-oxo-6-(3-phenylpropylamino)-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-1-ethyl-4-oxo-6-(3-phenylpropylamino)quinoline-3-carboxylic acid Traditional Name: 7-chloro-1-ethyl-4-keto-6-(3-phenylpropylamino)quinoline-3-carboxylic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)NCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)NCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H21ClN2O3/c1-2-24-13-16(21(26)27)20(25)15-11-18(17(22)12-19(15)24)23-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13,23H,2,6,9-10H2,1H3,(H,26,27)