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

Systemtic Name: 2-[5-bromanyl-8-fluoranyl-6-methyl-1-[4-(3-oxidanylideneprop-2-enoxy)phenyl]-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-bromo-8-fluoro-6-methyl-1-[4-(3-oxoallyloxy)phenyl]-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-bromo-8-fluoro-6-methyl-1-[4-(3-oxoprop-2-enoxy)phenyl]-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-bromo-8-fluoro-6-methyl-1-[4-(3-oxoprop-2-enoxy)phenyl]-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-bromo-8-fluoro-1-[4-(3-ketoallyloxy)phenyl]-6-methyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C23H19BrFNO5 MolecularWeight: 488.303063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1Br)C3=C(N2)C(OCC3)(CC(=O)O)C4=CC=C(C=C4)OCC=C=O)F

Isomeric SMILES

CC1=CC(=C2C(=C1Br)C3=C(N2)C(OCC3)(CC(=O)O)C4=CC=C(C=C4)OCC=C=O)F

InChI

InChI=1S/C23H19BrFNO5/c1-13-11-17(25)21-19(20(13)24)16-7-10-31-23(12-18(28)29,22(16)26-21)14-3-5-15(6-4-14)30-9-2-8-27/h2-6,11,26H,7,9-10,12H2,1H3,(H,28,29)