[3-(6-methoxyquinolin-4-yl)-3-oxidanylidene-propyl] 1-(2-cycloheptylsulfanylethyl)piperidine-3-carboxylate

Systemtic Name: [3-(6-methoxyquinolin-4-yl)-3-oxidanylidene-propyl] 1-(2-cycloheptylsulfanylethyl)piperidine-3-carboxylate Openeye Name: [3-(6-methoxy-4-quinolyl)-3-oxo-propyl] 1-(2-cycloheptylsulfanylethyl)piperidine-3-carboxylate CAS Name: 1-[2-(cycloheptylthio)ethyl]-3-piperidinecarboxylic acid [3-(6-methoxy-4-quinolinyl)-3-oxopropyl] ester IUPAC Name: [3-(6-methoxyquinolin-4-yl)-3-oxopropyl] 1-(2-cycloheptylsulfanylethyl)piperidine-3-carboxylate Traditional Name: 1-[2-(cycloheptylthio)ethyl]nipecotic acid [3-keto-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C28H38N2O4S MolecularWeight: 498.67732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCOC(=O)C3CCCN(C3)CCSC4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCOC(=O)C3CCCN(C3)CCSC4CCCCCC4

InChI

InChI=1S/C28H38N2O4S/c1-33-22-10-11-26-25(19-22)24(12-14-29-26)27(31)13-17-34-28(32)21-7-6-15-30(20-21)16-18-35-23-8-4-2-3-5-9-23/h10-12,14,19,21,23H,2-9,13,15-18,20H2,1H3