(phenylmethyl) (E)-2-[[2-iodanyl-3-(oxan-2-yloxymethyl)phenyl]amino]but-2-enoate

Systemtic Name: (phenylmethyl) (E)-2-[[2-iodanyl-3-(oxan-2-yloxymethyl)phenyl]amino]but-2-enoate Openeye Name: benzyl (E)-2-[2-iodo-3-(tetrahydropyran-2-yloxymethyl)anilino]but-2-enoate CAS Name: (E)-2-[2-iodo-3-(2-oxanyloxymethyl)anilino]-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-2-[2-iodo-3-(oxan-2-yloxymethyl)anilino]but-2-enoate Traditional Name: (E)-2-[2-iodo-3-(tetrahydropyran-2-yloxymethyl)anilino]but-2-enoic acid benzyl ester Formula: C23H26INO4 MolecularWeight: 507.36131

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(=O)OCC1=CC=CC=C1)NC2=CC=CC(=C2I)COC3CCCCO3

Isomeric SMILES

C/C=C(\C(=O)OCC1=CC=CC=C1)/NC2=CC=CC(=C2I)COC3CCCCO3

InChI

InChI=1S/C23H26INO4/c1-2-19(23(26)29-15-17-9-4-3-5-10-17)25-20-12-8-11-18(22(20)24)16-28-21-13-6-7-14-27-21/h2-5,8-12,21,25H,6-7,13-16H2,1H3/b19-2+