1-[(2-bromophenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 1-[(2-bromophenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid CAS Name: 1-[(2-bromophenyl)methyl]-3-(2-methyl-1-oxopropyl)-2-propyl-6-indolecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylic acid Traditional Name: 1-(2-bromobenzyl)-3-isobutyryl-2-propyl-indole-6-carboxylic acid Formula: C23H24BrNO3 MolecularWeight: 442.34556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3Br)C=C(C=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3Br)C=C(C=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C23H24BrNO3/c1-4-7-19-21(22(26)14(2)3)17-11-10-15(23(27)28)12-20(17)25(19)13-16-8-5-6-9-18(16)24/h5-6,8-12,14H,4,7,13H2,1-3H3,(H,27,28)