2-azanyl-4-[6-(4-butylphenyl)-7-fluoranyl-1H-indol-2-yl]benzoic acid

Systemtic Name: 2-azanyl-4-[6-(4-butylphenyl)-7-fluoranyl-1H-indol-2-yl]benzoic acid Openeye Name: 2-amino-4-[6-(4-butylphenyl)-7-fluoro-1H-indol-2-yl]benzoic acid CAS Name: 2-amino-4-[6-(4-butylphenyl)-7-fluoro-1H-indol-2-yl]benzoic acid IUPAC Name: 2-amino-4-[6-(4-butylphenyl)-7-fluoro-1H-indol-2-yl]benzoic acid Traditional Name: 2-amino-4-[6-(4-butylphenyl)-7-fluoro-1H-indol-2-yl]benzoic acid Formula: C25H23FN2O2 MolecularWeight: 402.460723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C3=C(C=C2)C=C(N3)C4=CC(=C(C=C4)C(=O)O)N)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C3=C(C=C2)C=C(N3)C4=CC(=C(C=C4)C(=O)O)N)F

InChI

InChI=1S/C25H23FN2O2/c1-2-3-4-15-5-7-16(8-6-15)19-11-10-18-14-22(28-24(18)23(19)26)17-9-12-20(25(29)30)21(27)13-17/h5-14,28H,2-4,27H2,1H3,(H,29,30)