1-[(3-cyanophenyl)methyl]-5-fluoranyl-indole-3-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methyl]-5-fluoranyl-indole-3-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methyl]-5-fluoro-indole-3-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methyl]-5-fluoro-3-indolecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methyl]-5-fluoroindole-3-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)-5-fluoro-indole-3-carboxylic acid Formula: C17H11FN2O2 MolecularWeight: 294.279843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C3=C2C=CC(=C3)F)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C3=C2C=CC(=C3)F)C(=O)O)C#N

InChI

InChI=1S/C17H11FN2O2/c18-13-4-5-16-14(7-13)15(17(21)22)10-20(16)9-12-3-1-2-11(6-12)8-19/h1-7,10H,9H2,(H,21,22)