(phenylmethyl) (E)-3-[[4-(2-hydroxyethyl)-2-iodanyl-phenyl]amino]but-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-[[4-(2-hydroxyethyl)-2-iodanyl-phenyl]amino]but-2-enoate Openeye Name: benzyl (E)-3-[4-(2-hydroxyethyl)-2-iodo-anilino]but-2-enoate CAS Name: (E)-3-[4-(2-hydroxyethyl)-2-iodoanilino]-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-[4-(2-hydroxyethyl)-2-iodoanilino]but-2-enoate Traditional Name: (E)-3-[4-(2-hydroxyethyl)-2-iodo-anilino]but-2-enoic acid benzyl ester Formula: C19H20INO3 MolecularWeight: 437.27147

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC1=CC=CC=C1)NC2=C(C=C(C=C2)CCO)I

Isomeric SMILES

C/C(=C\C(=O)OCC1=CC=CC=C1)/NC2=C(C=C(C=C2)CCO)I

InChI

InChI=1S/C19H20INO3/c1-14(11-19(23)24-13-16-5-3-2-4-6-16)21-18-8-7-15(9-10-22)12-17(18)20/h2-8,11-12,21-22H,9-10,13H2,1H3/b14-11+