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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(3-iodanylphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(3-iodophenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(3-iodophenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(3-iodophenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(3-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(=C1)I)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

Isomeric SMILES

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

InChI

InChI=1S/C20H21IN2O2/c21-15-5-3-4-14(12-15)20-16(6-1-2-9-22)17-10-13(11-19(24)25)7-8-18(17)23-20/h3-5,7-8,10,12,23H,1-2,6,9,11,22H2,(H,24,25)