3-acetamido-7-(4-butylphenyl)-6-fluoranyl-5,10-dihydroindeno[1,2-b]indole-2-carboxylic acid

Systemtic Name: 3-acetamido-7-(4-butylphenyl)-6-fluoranyl-5,10-dihydroindeno[1,2-b]indole-2-carboxylic acid Openeye Name: 3-acetamido-7-(4-butylphenyl)-6-fluoro-5,10-dihydroindeno[1,2-b]indole-2-carboxylic acid CAS Name: 3-acetamido-7-(4-butylphenyl)-6-fluoro-5,10-dihydroindeno[1,2-b]indole-2-carboxylic acid IUPAC Name: 3-acetamido-7-(4-butylphenyl)-6-fluoro-5,10-dihydroindeno[1,2-b]indole-2-carboxylic acid Traditional Name: 3-acetamido-7-(4-butylphenyl)-6-fluoro-5,10-dihydroinden[1,2-b]indole-2-carboxylic acid Formula: C28H25FN2O3 MolecularWeight: 456.508103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C3=C(C=C2)C4=C(N3)C5=CC(=C(C=C5C4)C(=O)O)NC(=O)C)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C3=C(C=C2)C4=C(N3)C5=CC(=C(C=C5C4)C(=O)O)NC(=O)C)F

InChI

InChI=1S/C28H25FN2O3/c1-3-4-5-16-6-8-17(9-7-16)19-10-11-20-22-12-18-13-23(28(33)34)24(30-15(2)32)14-21(18)26(22)31-27(20)25(19)29/h6-11,13-14,31H,3-5,12H2,1-2H3,(H,30,32)(H,33,34)