4-ethoxycarbonyl-8-fluoranyl-1-oct-4-en-4-yl-isoquinoline-3-carboxylic acid

Systemtic Name: 4-ethoxycarbonyl-8-fluoranyl-1-oct-4-en-4-yl-isoquinoline-3-carboxylic acid Openeye Name: 4-ethoxycarbonyl-8-fluoro-1-(1-propylpent-1-enyl)isoquinoline-3-carboxylic acid CAS Name: 4-ethoxycarbonyl-8-fluoro-1-oct-4-en-4-yl-3-isoquinolinecarboxylic acid IUPAC Name: 4-ethoxycarbonyl-8-fluoro-1-oct-4-en-4-ylisoquinoline-3-carboxylic acid Traditional Name: 4-carbethoxy-8-fluoro-1-(1-propylpent-1-enyl)isoquinoline-3-carboxylic acid Formula: C21H24FNO4 MolecularWeight: 373.417963

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(CCC)C1=NC(=C(C2=C1C(=CC=C2)F)C(=O)OCC)C(=O)O

Isomeric SMILES

CCCC=C(CCC)C1=NC(=C(C2=C1C(=CC=C2)F)C(=O)OCC)C(=O)O

InChI

InChI=1S/C21H24FNO4/c1-4-7-10-13(9-5-2)18-16-14(11-8-12-15(16)22)17(21(26)27-6-3)19(23-18)20(24)25/h8,10-12H,4-7,9H2,1-3H3,(H,24,25)