(phenylmethyl) (2R)-3-(1H-indol-3-yl)-2-[[(Z)-2-iodanylbut-2-enyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2R)-3-(1H-indol-3-yl)-2-[[(Z)-2-iodanylbut-2-enyl]amino]propanoate Openeye Name: benzyl (2R)-3-(1H-indol-3-yl)-2-[[(Z)-2-iodobut-2-enyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[(Z)-2-iodobut-2-enyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-3-(1H-indol-3-yl)-2-[[(Z)-2-iodobut-2-enyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[(Z)-2-iodobut-2-enyl]amino]propionic acid benzyl ester Formula: C22H23IN2O2 MolecularWeight: 474.33469

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CNC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)I

Isomeric SMILES

C/C=C(/CN[C@H](CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)\I

InChI

InChI=1S/C22H23IN2O2/c1-2-18(23)14-25-21(22(26)27-15-16-8-4-3-5-9-16)12-17-13-24-20-11-7-6-10-19(17)20/h2-11,13,21,24-25H,12,14-15H2,1H3/b18-2-/t21-/m1/s1