2-azanylethyl 3-[3-(6-azanylhexanoyl)-2,4,6-tris(iodanyl)phenyl]propanoate

Systemtic Name: 2-azanylethyl 3-[3-(6-azanylhexanoyl)-2,4,6-tris(iodanyl)phenyl]propanoate Openeye Name: 2-aminoethyl 3-[3-(6-aminohexanoyl)-2,4,6-triiodo-phenyl]propanoate CAS Name: 3-[3-(6-amino-1-oxohexyl)-2,4,6-triiodophenyl]propanoic acid 2-aminoethyl ester IUPAC Name: 2-aminoethyl 3-[3-(6-aminohexanoyl)-2,4,6-triiodophenyl]propanoate Traditional Name: 3-[3-(6-aminohexanoyl)-2,4,6-triiodo-phenyl]propionic acid 2-aminoethyl ester Formula: C17H23I3N2O3 MolecularWeight: 684.08953

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1I)CCC(=O)OCCN)I)C(=O)CCCCCN)I

Isomeric SMILES

C1=C(C(=C(C(=C1I)CCC(=O)OCCN)I)C(=O)CCCCCN)I

InChI

InChI=1S/C17H23I3N2O3/c18-12-10-13(19)16(14(23)4-2-1-3-7-21)17(20)11(12)5-6-15(24)25-9-8-22/h10H,1-9,21-22H2