5-[2-(4-bromophenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(4-bromophenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(4-bromophenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-hydroxy-benzoic acid CAS Name: 5-[2-(4-bromophenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-(4-bromophenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-hydroxybenzoic acid Traditional Name: 5-[2-(4-bromophenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-hydroxy-benzoic acid Formula: C21H18BrNO3 MolecularWeight: 412.27652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(N2C3=CC(=C(C=C3)O)C(=O)O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C=C(N2C3=CC(=C(C=C3)O)C(=O)O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrNO3/c22-15-7-5-13(6-8-15)19-11-14-3-1-2-4-18(14)23(19)16-9-10-20(24)17(12-16)21(25)26/h5-12,24H,1-4H2,(H,25,26)