4-[3-(methoxyamino)-3-(6-methoxyquinolin-4-yl)propyl]-1-(2-pyridin-2-ylsulfanylethyl)piperidine-3-carboxylic acid

Systemtic Name: 4-[3-(methoxyamino)-3-(6-methoxyquinolin-4-yl)propyl]-1-(2-pyridin-2-ylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(methoxyamino)-3-(6-methoxy-4-quinolyl)propyl]-1-[2-(2-pyridylsulfanyl)ethyl]piperidine-3-carboxylic acid CAS Name: 4-[3-(methoxyamino)-3-(6-methoxy-4-quinolinyl)propyl]-1-[2-(2-pyridinylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(methoxyamino)-3-(6-methoxyquinolin-4-yl)propyl]-1-(2-pyridin-2-ylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(methoxyamino)-3-(6-methoxy-4-quinolyl)propyl]-1-[2-(2-pyridylthio)ethyl]nipecotic acid Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CCSC4=CC=CC=N4)NOC

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CCSC4=CC=CC=N4)NOC

InChI

InChI=1S/C27H34N4O4S/c1-34-20-7-9-24-22(17-20)21(10-13-28-24)25(30-35-2)8-6-19-11-14-31(18-23(19)27(32)33)15-16-36-26-5-3-4-12-29-26/h3-5,7,9-10,12-13,17,19,23,25,30H,6,8,11,14-16,18H2,1-2H3,(H,32,33)