1-butyl-5-cyano-8-fluoranyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxylic acid

Systemtic Name: 1-butyl-5-cyano-8-fluoranyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxylic acid Openeye Name: 1-butyl-5-cyano-8-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxylic acid CAS Name: 1-butyl-5-cyano-8-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxylic acid IUPAC Name: 1-butyl-5-cyano-8-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxylic acid Traditional Name: 1-butyl-5-cyano-8-fluoro-4,9-dihydro-3H-pyran[3,4-b]indole-1-carboxylic acid Formula: C17H17FN2O3 MolecularWeight: 316.326883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(CCO1)C3=C(C=CC(=C3N2)F)C#N)C(=O)O

Isomeric SMILES

CCCCC1(C2=C(CCO1)C3=C(C=CC(=C3N2)F)C#N)C(=O)O

InChI

InChI=1S/C17H17FN2O3/c1-2-3-7-17(16(21)22)15-11(6-8-23-17)13-10(9-19)4-5-12(18)14(13)20-15/h4-5,20H,2-3,6-8H2,1H3,(H,21,22)