ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate

Systemtic Name: ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate Openeye Name: ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-1-[(2-fluorophenyl)methyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate Traditional Name: 5-(3,3-dimethylbutanoylamino)-1-(2-fluorobenzyl)indole-2-carboxylic acid ethyl ester Formula: C24H27FN2O3 MolecularWeight: 410.481183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC3=CC=CC=C3F)C=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC3=CC=CC=C3F)C=CC(=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C24H27FN2O3/c1-5-30-23(29)21-13-17-12-18(26-22(28)14-24(2,3)4)10-11-20(17)27(21)15-16-8-6-7-9-19(16)25/h6-13H,5,14-15H2,1-4H3,(H,26,28)