6-(2-cyano-6-fluoranyl-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 6-(2-cyano-6-fluoranyl-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(2-cyano-6-fluoro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(2-cyano-6-fluorophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-(2-cyano-6-fluorophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(2-cyano-6-fluoro-phenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C21H14FN3O4 MolecularWeight: 391.351963

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C3=C(C=CC(=C3)OC4=C(C=CC=C4F)C#N)NC2=CN=C1C(=O)O

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)OC4=C(C=CC=C4F)C#N)NC2=CN=C1C(=O)O

InChI

InChI=1S/C21H14FN3O4/c1-28-10-14-18-13-7-12(29-20-11(8-23)3-2-4-15(20)22)5-6-16(13)25-17(18)9-24-19(14)21(26)27/h2-7,9,25H,10H2,1H3,(H,26,27)