(4E)-7-chloranyl-4-(2-oxidanylidene-1-phenyl-piperidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acid

Systemtic Name: (4E)-7-chloranyl-4-(2-oxidanylidene-1-phenyl-piperidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acid Openeye Name: (4E)-7-chloro-4-(2-oxo-1-phenyl-3-piperidylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acid CAS Name: (4E)-7-chloro-4-(2-oxo-1-phenyl-3-piperidinylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acid IUPAC Name: (4E)-7-chloro-4-(2-oxo-1-phenylpiperidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acid Traditional Name: (4E)-7-chloro-4-(2-keto-1-phenyl-3-piperidylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acid Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C2CC(NC3=C2C=CC(=C3)Cl)C(=O)O)C(=O)N(C1)C4=CC=CC=C4

Isomeric SMILES

C1C/C(=C\2/CC(NC3=C2C=CC(=C3)Cl)C(=O)O)/C(=O)N(C1)C4=CC=CC=C4

InChI

InChI=1S/C21H19ClN2O3/c22-13-8-9-15-17(12-19(21(26)27)23-18(15)11-13)16-7-4-10-24(20(16)25)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,19,23H,4,7,10,12H2,(H,26,27)/b17-16+