1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-5-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-5-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-5-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methyl-1-oxopropyl)-2-propyl-5-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-isobutyryl-2-propyl-indole-5-carboxylic acid Formula: C24H24ClNO5 MolecularWeight: 441.90406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=CC(=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=CC(=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C24H24ClNO5/c1-4-5-19-22(23(27)13(2)3)16-8-14(24(28)29)6-7-18(16)26(19)11-15-9-20-21(10-17(15)25)31-12-30-20/h6-10,13H,4-5,11-12H2,1-3H3,(H,28,29)