1-[[3,5-bis(bromanyl)phenyl]methyl]-3-cyclohexyl-2-phenyl-indole-6-carboxylic acid

Systemtic Name: 1-[[3,5-bis(bromanyl)phenyl]methyl]-3-cyclohexyl-2-phenyl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[(3,5-dibromophenyl)methyl]-2-phenyl-indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[(3,5-dibromophenyl)methyl]-2-phenyl-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[(3,5-dibromophenyl)methyl]-2-phenylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-(3,5-dibromobenzyl)-2-phenyl-indole-6-carboxylic acid Formula: C28H25Br2NO2 MolecularWeight: 567.3116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC(=CC(=C4)Br)Br)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC(=CC(=C4)Br)Br)C5=CC=CC=C5

InChI

InChI=1S/C28H25Br2NO2/c29-22-13-18(14-23(30)16-22)17-31-25-15-21(28(32)33)11-12-24(25)26(19-7-3-1-4-8-19)27(31)20-9-5-2-6-10-20/h2,5-6,9-16,19H,1,3-4,7-8,17H2,(H,32,33)