ethyl (3S)-1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)nipecotic acid ethyl ester Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23ClN2O3/c1-2-29-23(28)16-9-6-12-26(14-16)21-20(15-7-4-3-5-8-15)18-13-17(24)10-11-19(18)25-22(21)27/h3-5,7-8,10-11,13,16H,2,6,9,12,14H2,1H3,(H,25,27)/t16-/m0/s1