2-[5-bromanyl-1-butyl-6,8-bis(fluoranyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-1-butyl-6,8-bis(fluoranyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1-butyl-6,8-difluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5-bromo-1-butyl-6,8-difluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5-bromo-1-butyl-6,8-difluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(5-bromo-1-butyl-6,8-difluoro-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C17H18BrF2NO3 MolecularWeight: 402.230526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(CCO1)C3=C(N2)C(=CC(=C3Br)F)F)CC(=O)O

Isomeric SMILES

CCCCC1(C2=C(CCO1)C3=C(N2)C(=CC(=C3Br)F)F)CC(=O)O

InChI

InChI=1S/C17H18BrF2NO3/c1-2-3-5-17(8-12(22)23)16-9(4-6-24-17)13-14(18)10(19)7-11(20)15(13)21-16/h7,21H,2-6,8H2,1H3,(H,22,23)