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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)propyl]-1-(3-phenylpropyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-(3-phenylpropyl)isonipecotic acid Formula: C28H33ClN2O3 MolecularWeight: 481.02622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H33ClN2O3/c1-34-22-11-12-26-24(19-22)23(25(29)20-30-26)10-5-13-28(27(32)33)14-17-31(18-15-28)16-6-9-21-7-3-2-4-8-21/h2-4,7-8,11-12,19-20H,5-6,9-10,13-18H2,1H3,(H,32,33)