3-(6-methoxyquinolin-4-yl)propyl 1-(3-thiophen-3-ylprop-2-ynyl)piperidine-3-carboxylate

Systemtic Name: 3-(6-methoxyquinolin-4-yl)propyl 1-(3-thiophen-3-ylprop-2-ynyl)piperidine-3-carboxylate Openeye Name: 3-(6-methoxy-4-quinolyl)propyl 1-[3-(3-thienyl)prop-2-ynyl]piperidine-3-carboxylate CAS Name: 1-[3-(3-thiophenyl)prop-2-ynyl]-3-piperidinecarboxylic acid 3-(6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(6-methoxyquinolin-4-yl)propyl 1-(3-thiophen-3-ylprop-2-ynyl)piperidine-3-carboxylate Traditional Name: 1-[3-(3-thienyl)prop-2-ynyl]nipecotic acid 3-(6-methoxy-4-quinolyl)propyl ester Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCCOC(=O)C3CCCN(C3)CC#CC4=CSC=C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCCOC(=O)C3CCCN(C3)CC#CC4=CSC=C4

InChI

InChI=1S/C26H28N2O3S/c1-30-23-8-9-25-24(17-23)21(10-12-27-25)7-4-15-31-26(29)22-6-3-14-28(18-22)13-2-5-20-11-16-32-19-20/h8-12,16-17,19,22H,3-4,6-7,13-15,18H2,1H3