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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-(4-phenylbutyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-(4-phenylbutyl)piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-1-(4-phenylbutyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(4-phenylbutyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-(4-phenylbutyl)isonipecotic acid Formula: C29H35ClN2O4 MolecularWeight: 511.0522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCCCC4=CC=CC=C4)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCCCC4=CC=CC=C4)C(=O)O)O

InChI

InChI=1S/C29H35ClN2O4/c1-36-22-10-11-25-23(19-22)27(24(30)20-31-25)26(33)12-13-29(28(34)35)14-17-32(18-15-29)16-6-5-9-21-7-3-2-4-8-21/h2-4,7-8,10-11,19-20,26,33H,5-6,9,12-18H2,1H3,(H,34,35)