1-[6-chloranyl-5-[[(2S)-2-phenylpropyl]carbamoyl]quinolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-chloranyl-5-[[(2S)-2-phenylpropyl]carbamoyl]quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-5-[[(2S)-2-phenylpropyl]carbamoyl]-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-5-[oxo-[[(2S)-2-phenylpropyl]amino]methyl]-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-5-[[(2S)-2-phenylpropyl]carbamoyl]quinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-5-[[(2S)-2-phenylpropyl]carbamoyl]-2-quinolyl]isonipecotic acid Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C(C=CC2=C1C=CC(=N2)N3CCC(CC3)C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)C1=C(C=CC2=C1C=CC(=N2)N3CCC(CC3)C(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H26ClN3O3/c1-16(17-5-3-2-4-6-17)15-27-24(30)23-19-7-10-22(28-21(19)9-8-20(23)26)29-13-11-18(12-14-29)25(31)32/h2-10,16,18H,11-15H2,1H3,(H,27,30)(H,31,32)/t16-/m1/s1