2-[1-[3-[3,5-bis(fluoranyl)phenyl]prop-2-ynyl]-4-[3-(methoxyamino)-3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[3-[3,5-bis(fluoranyl)phenyl]prop-2-ynyl]-4-[3-(methoxyamino)-3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]ethanoic acid Openeye Name: 2-[1-[3-(3,5-difluorophenyl)prop-2-ynyl]-4-[3-(methoxyamino)-3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetic acid CAS Name: 2-[1-[3-(3,5-difluorophenyl)prop-2-ynyl]-4-[3-(methoxyamino)-3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[1-[3-(3,5-difluorophenyl)prop-2-ynyl]-4-[3-(methoxyamino)-3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid Traditional Name: 2-[1-[3-(3,5-difluorophenyl)prop-2-ynyl]-4-[3-(methoxyamino)-3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetic acid Formula: C30H33F2N3O4 MolecularWeight: 537.597526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3CC(=O)O)CC#CC4=CC(=CC(=C4)F)F)NOC

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3CC(=O)O)CC#CC4=CC(=CC(=C4)F)F)NOC

InChI

InChI=1S/C30H33F2N3O4/c1-38-25-6-8-28-27(18-25)26(9-11-33-28)29(34-39-2)7-5-21-10-13-35(19-22(21)16-30(36)37)12-3-4-20-14-23(31)17-24(32)15-20/h6,8-9,11,14-15,17-18,21-22,29,34H,5,7,10,12-13,16,19H2,1-2H3,(H,36,37)