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

Systemtic Name: 1-[(4-bromanyl-2-chloranyl-phenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 1-[(4-bromo-2-chloro-phenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid CAS Name: 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-methyl-1-oxopropyl)-2-propyl-6-indolecarboxylic acid IUPAC Name: 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylic acid Traditional Name: 1-(4-bromo-2-chloro-benzyl)-3-isobutyryl-2-propyl-indole-6-carboxylic acid Formula: C23H23BrClNO3 MolecularWeight: 476.79062

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H23BrClNO3/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(24)11-18(15)25/h6-11,13H,4-5,12H2,1-3H3,(H,28,29)