1-[(3-cyanophenyl)methyl]-5-fluoranyl-4-methyl-indole-2-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methyl]-5-fluoranyl-4-methyl-indole-2-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methyl]-5-fluoro-4-methyl-indole-2-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methyl]-5-fluoro-4-methyl-2-indolecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methyl]-5-fluoro-4-methylindole-2-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)-5-fluoro-4-methyl-indole-2-carboxylic acid Formula: C18H13FN2O2 MolecularWeight: 308.306423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=C(N2CC3=CC=CC(=C3)C#N)C(=O)O)F

Isomeric SMILES

CC1=C(C=CC2=C1C=C(N2CC3=CC=CC(=C3)C#N)C(=O)O)F

InChI

InChI=1S/C18H13FN2O2/c1-11-14-8-17(18(22)23)21(16(14)6-5-15(11)19)10-13-4-2-3-12(7-13)9-20/h2-8H,10H2,1H3,(H,22,23)