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

Systemtic Name: 3-azanyl-7-(4-butylphenyl)-6-fluoranyl-5,10-dihydroindeno[1,2-b]indole-2-carboxylic acid Openeye Name: 3-amino-7-(4-butylphenyl)-6-fluoro-5,10-dihydroindeno[1,2-b]indole-2-carboxylic acid CAS Name: 3-amino-7-(4-butylphenyl)-6-fluoro-5,10-dihydroindeno[1,2-b]indole-2-carboxylic acid IUPAC Name: 3-amino-7-(4-butylphenyl)-6-fluoro-5,10-dihydroindeno[1,2-b]indole-2-carboxylic acid Traditional Name: 3-amino-7-(4-butylphenyl)-6-fluoro-5,10-dihydroinden[1,2-b]indole-2-carboxylic acid Formula: C26H23FN2O2 MolecularWeight: 414.471423

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)N)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)N)F

InChI

InChI=1S/C26H23FN2O2/c1-2-3-4-14-5-7-15(8-6-14)17-9-10-18-20-11-16-12-21(26(30)31)22(28)13-19(16)24(20)29-25(18)23(17)27/h5-10,12-13,29H,2-4,11,28H2,1H3,(H,30,31)