4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-(2-cyclohexylethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-(2-cyclohexylethyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-(2-cyclohexylethyl)piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-1-(2-cyclohexylethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(2-cyclohexylethyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-(2-cyclohexylethyl)isonipecotic acid Formula: C27H37ClN2O4 MolecularWeight: 489.04668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCC4CCCCC4)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCC4CCCCC4)C(=O)O)O

InChI

InChI=1S/C27H37ClN2O4/c1-34-20-7-8-23-21(17-20)25(22(28)18-29-23)24(31)9-11-27(26(32)33)12-15-30(16-13-27)14-10-19-5-3-2-4-6-19/h7-8,17-19,24,31H,2-6,9-16H2,1H3,(H,32,33)