7-chloranyl-4-(2-oxidanylidene-1-phenyl-piperidin-3-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Systemtic Name: 7-chloranyl-4-(2-oxidanylidene-1-phenyl-piperidin-3-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Openeye Name: 7-chloro-4-(2-oxo-1-phenyl-3-piperidyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid CAS Name: 7-chloro-4-(2-oxo-1-phenyl-3-piperidinyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid IUPAC Name: 7-chloro-4-(2-oxo-1-phenylpiperidin-3-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Traditional Name: 7-chloro-4-(2-keto-1-phenyl-3-piperidyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)C2=CC=CC=C2)C3CC(NC4=C3C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1CC(C(=O)N(C1)C2=CC=CC=C2)C3CC(NC4=C3C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C21H21ClN2O3/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/h1-3,5-6,8-9,11,16-17,19,23H,4,7,10,12H2,(H,26,27)