[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-prop-2-ynylpiperidine-3-carboxylate

Systemtic Name: [3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-prop-2-ynylpiperidine-3-carboxylate Openeye Name: [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] 1-prop-2-ynylpiperidine-3-carboxylate CAS Name: 1-prop-2-ynyl-3-piperidinecarboxylic acid [3-hydroxy-3-(6-methoxy-4-quinolinyl)propyl] ester IUPAC Name: [3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl] 1-prop-2-ynylpiperidine-3-carboxylate Traditional Name: 1-propargylnipecotic acid [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-3-11-24-12-4-5-16(15-24)22(26)28-13-9-21(25)18-8-10-23-20-7-6-17(27-2)14-19(18)20/h1,6-8,10,14,16,21,25H,4-5,9,11-13,15H2,2H3