3-[2-(4-bromophenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid

Systemtic Name: 3-[2-(4-bromophenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid Openeye Name: 3-[2-(4-bromophenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid CAS Name: 3-[2-(4-bromophenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid IUPAC Name: 3-[2-(4-bromophenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid Traditional Name: 3-[2-(4-bromophenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid Formula: C21H18BrNO2 MolecularWeight: 396.27712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO2/c22-17-10-8-14(9-11-17)20-13-15-4-1-2-7-19(15)23(20)18-6-3-5-16(12-18)21(24)25/h3,5-6,8-13H,1-2,4,7H2,(H,24,25)