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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN)I

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN)I

InChI

InChI=1S/C20H21IN2O2/c21-15-7-5-14(6-8-15)20-16(3-1-2-10-22)17-11-13(12-19(24)25)4-9-18(17)23-20/h4-9,11,23H,1-3,10,12,22H2,(H,24,25)