1-[4-[3-[3-(hydroxymethyl)-6-methoxy-quinolin-4-yl]propyl]piperidin-4-yl]-4-thiophen-2-yl-but-3-yn-1-ol

Systemtic Name: 1-[4-[3-[3-(hydroxymethyl)-6-methoxy-quinolin-4-yl]propyl]piperidin-4-yl]-4-thiophen-2-yl-but-3-yn-1-ol Openeye Name: 1-[4-[3-[3-(hydroxymethyl)-6-methoxy-4-quinolyl]propyl]-4-piperidyl]-4-(2-thienyl)but-3-yn-1-ol CAS Name: 1-[4-[3-[3-(hydroxymethyl)-6-methoxy-4-quinolinyl]propyl]-4-piperidinyl]-4-thiophen-2-yl-3-butyn-1-ol IUPAC Name: 1-[4-[3-[3-(hydroxymethyl)-6-methoxyquinolin-4-yl]propyl]piperidin-4-yl]-4-thiophen-2-ylbut-3-yn-1-ol Traditional Name: 1-[4-[3-(6-methoxy-3-methylol-4-quinolyl)propyl]-4-piperidyl]-4-(2-thienyl)but-3-yn-1-ol Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)CO)CCCC3(CCNCC3)C(CC#CC4=CC=CS4)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)CO)CCCC3(CCNCC3)C(CC#CC4=CC=CS4)O

InChI

InChI=1S/C27H32N2O3S/c1-32-21-9-10-25-24(17-21)23(20(19-30)18-29-25)7-3-11-27(12-14-28-15-13-27)26(31)8-2-5-22-6-4-16-33-22/h4,6,9-10,16-18,26,28,30-31H,3,7-8,11-15,19H2,1H3