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

Systemtic Name: 2-(5-cyano-8-fluoranyl-6-methyl-1-phenyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(5-cyano-8-fluoro-6-methyl-1-phenyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5-cyano-8-fluoro-6-methyl-1-phenyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5-cyano-8-fluoro-6-methyl-1-phenyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(5-cyano-8-fluoro-6-methyl-1-phenyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C21H17FN2O3 MolecularWeight: 364.369683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1C#N)C3=C(N2)C(OCC3)(CC(=O)O)C4=CC=CC=C4)F

Isomeric SMILES

CC1=CC(=C2C(=C1C#N)C3=C(N2)C(OCC3)(CC(=O)O)C4=CC=CC=C4)F

InChI

InChI=1S/C21H17FN2O3/c1-12-9-16(22)19-18(15(12)11-23)14-7-8-27-21(10-17(25)26,20(14)24-19)13-5-3-2-4-6-13/h2-6,9,24H,7-8,10H2,1H3,(H,25,26)