1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-4-(phenylmethoxycarbonylamino)piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-4-(phenylmethoxycarbonylamino)piperidine-4-carboxylic acid Openeye Name: 4-(benzyloxycarbonylamino)-1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-(phenylmethoxycarbonylamino)-4-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(phenylmethoxycarbonylamino)piperidine-4-carboxylic acid Traditional Name: 4-(benzyloxycarbonylamino)-1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]isonipecotic acid Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)(C(=O)O)NC(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)(C(=O)O)NC(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C26H29N3O6/c1-34-19-7-8-22-21(15-19)20(9-12-27-22)23(30)16-29-13-10-26(11-14-29,24(31)32)28-25(33)35-17-18-5-3-2-4-6-18/h2-9,12,15,23,30H,10-11,13-14,16-17H2,1H3,(H,28,33)(H,31,32)