(3S)-4-[(1R)-1-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-4-[(1R)-1-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]piperidine-3-carboxylic acid Openeye Name: (3S)-4-[(1R)-1-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]piperidine-3-carboxylic acid CAS Name: (3S)-4-[(1R)-1-(3-chloro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-4-[(1R)-1-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid Traditional Name: (3S)-4-[(1R)-1-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]nipecotic acid Formula: C19H23ClN2O4 MolecularWeight: 378.84992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCO)C3CCNCC3C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)[C@H](CCO)C3CCNC[C@H]3C(=O)O

InChI

InChI=1S/C19H23ClN2O4/c1-26-11-2-3-17-14(8-11)18(16(20)10-22-17)13(5-7-23)12-4-6-21-9-15(12)19(24)25/h2-3,8,10,12-13,15,21,23H,4-7,9H2,1H3,(H,24,25)/t12?,13-,15-/m1/s1