1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-3-(2-methyl-1-oxopropyl)-2-propyl-6-indolecarboxylic acid IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylic acid Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-3-isobutyryl-2-propyl-indole-6-carboxylic acid Formula: C23H23ClFNO3 MolecularWeight: 415.885023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=C(C=C(C=C3)F)Cl)C=C(C=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=C(C=C(C=C3)F)Cl)C=C(C=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C23H23ClFNO3/c1-4-5-19-21(22(27)13(2)3)17-9-7-14(23(28)29)10-20(17)26(19)12-15-6-8-16(25)11-18(15)24/h6-11,13H,4-5,12H2,1-3H3,(H,28,29)