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

Systemtic Name: 4-[3-[3-(aminomethyl)-6-methoxy-quinolin-4-yl]-3-oxidanyl-propyl]-1-(2-cyclohexylethyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-[3-(aminomethyl)-6-methoxy-4-quinolyl]-3-hydroxy-propyl]-1-(2-cyclohexylethyl)piperidine-4-carboxylic acid CAS Name: 4-[3-[3-(aminomethyl)-6-methoxy-4-quinolinyl]-3-hydroxypropyl]-1-(2-cyclohexylethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[3-[3-(aminomethyl)-6-methoxyquinolin-4-yl]-3-hydroxypropyl]-1-(2-cyclohexylethyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-[3-(aminomethyl)-6-methoxy-4-quinolyl]-3-hydroxy-propyl]-1-(2-cyclohexylethyl)isonipecotic acid Formula: C28H41N3O4 MolecularWeight: 483.64284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O4/c1-35-22-7-8-24-23(17-22)26(21(18-29)19-30-24)25(32)9-11-28(27(33)34)12-15-31(16-13-28)14-10-20-5-3-2-4-6-20/h7-8,17,19-20,25,32H,2-6,9-16,18,29H2,1H3,(H,33,34)