[3-azanyl-3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl] 2-[1-(3-thiophen-2-ylprop-2-ynyl)piperidin-3-yl]ethanoate

Systemtic Name: [3-azanyl-3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl] 2-[1-(3-thiophen-2-ylprop-2-ynyl)piperidin-3-yl]ethanoate Openeye Name: [3-amino-3-(3-fluoro-6-methoxy-4-quinolyl)propyl] 2-[1-[3-(2-thienyl)prop-2-ynyl]-3-piperidyl]acetate CAS Name: 2-[1-(3-thiophen-2-ylprop-2-ynyl)-3-piperidinyl]acetic acid [3-amino-3-(3-fluoro-6-methoxy-4-quinolinyl)propyl] ester IUPAC Name: [3-amino-3-(3-fluoro-6-methoxyquinolin-4-yl)propyl] 2-[1-(3-thiophen-2-ylprop-2-ynyl)piperidin-3-yl]acetate Traditional Name: 2-[1-[3-(2-thienyl)prop-2-ynyl]-3-piperidyl]acetic acid [3-amino-3-(3-fluoro-6-methoxy-4-quinolyl)propyl] ester Formula: C27H30FN3O3S MolecularWeight: 495.608803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)C(CCOC(=O)CC3CCCN(C3)CC#CC4=CC=CS4)N

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)C(CCOC(=O)CC3CCCN(C3)CC#CC4=CC=CS4)N

InChI

InChI=1S/C27H30FN3O3S/c1-33-20-8-9-25-22(16-20)27(23(28)17-30-25)24(29)10-13-34-26(32)15-19-5-2-11-31(18-19)12-3-6-21-7-4-14-35-21/h4,7-9,14,16-17,19,24H,2,5,10-13,15,18,29H2,1H3