2-[8-cyano-1-propyl-5-(trifluoromethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid

Systemtic Name: 2-[8-cyano-1-propyl-5-(trifluoromethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[8-cyano-1-propyl-5-(trifluoromethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[8-cyano-1-propyl-5-(trifluoromethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[8-cyano-1-propyl-5-(trifluoromethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[8-cyano-1-propyl-5-(trifluoromethyl)-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C18H17F3N2O3 MolecularWeight: 366.33439

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(C=CC(=C3N2)C#N)C(F)(F)F)CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(C=CC(=C3N2)C#N)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C18H17F3N2O3/c1-2-6-17(8-13(24)25)16-11(5-7-26-17)14-12(18(19,20)21)4-3-10(9-22)15(14)23-16/h3-4,23H,2,5-8H2,1H3,(H,24,25)