hexyl 2-azanyl-3-[3,5-bis(iodanyl)-4-methoxy-phenyl]propanoate

Systemtic Name: hexyl 2-azanyl-3-[3,5-bis(iodanyl)-4-methoxy-phenyl]propanoate Openeye Name: hexyl 2-amino-3-(3,5-diiodo-4-methoxy-phenyl)propanoate CAS Name: 2-amino-3-(3,5-diiodo-4-methoxyphenyl)propanoic acid hexyl ester IUPAC Name: hexyl 2-amino-3-(3,5-diiodo-4-methoxyphenyl)propanoate Traditional Name: 2-amino-3-(3,5-diiodo-4-methoxy-phenyl)propionic acid hexyl ester Formula: C16H23I2NO3 MolecularWeight: 531.16766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC1=CC(=C(C(=C1)I)OC)I)N

Isomeric SMILES

CCCCCCOC(=O)C(CC1=CC(=C(C(=C1)I)OC)I)N

InChI

InChI=1S/C16H23I2NO3/c1-3-4-5-6-7-22-16(20)14(19)10-11-8-12(17)15(21-2)13(18)9-11/h8-9,14H,3-7,10,19H2,1-2H3