2-[3-(4-azanylbutyl)-2-(2-iodanylphenyl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(2-iodanylphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(2-iodophenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(2-iodophenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(2-iodophenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(2-iodophenyl)-1H-indol-5-yl]acetic acid Formula: C20H21IN2O2 MolecularWeight: 448.29741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN)I

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN)I

InChI

InChI=1S/C20H21IN2O2/c21-17-7-2-1-6-15(17)20-14(5-3-4-10-22)16-11-13(12-19(24)25)8-9-18(16)23-20/h1-2,6-9,11,23H,3-5,10,12,22H2,(H,24,25)