5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid Openeye Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-1-[(2-fluorophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid Traditional Name: 5-(3,3-dimethylbutanoylamino)-1-(2-fluorobenzyl)indole-2-carboxylic acid Formula: C22H23FN2O3 MolecularWeight: 382.428023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=CC=C3F

InChI

InChI=1S/C22H23FN2O3/c1-22(2,3)12-20(26)24-16-8-9-18-15(10-16)11-19(21(27)28)25(18)13-14-6-4-5-7-17(14)23/h4-11H,12-13H2,1-3H3,(H,24,26)(H,27,28)