(phenylmethyl) 2-iodanyl-3-[(triphenylmethyl)amino]propanoate

Systemtic Name: (phenylmethyl) 2-iodanyl-3-[(triphenylmethyl)amino]propanoate Openeye Name: benzyl 2-iodo-3-(tritylamino)propanoate CAS Name: 2-iodo-3-[(triphenylmethyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-iodo-3-(tritylamino)propanoate Traditional Name: 2-iodo-3-(tritylamino)propionic acid benzyl ester Formula: C29H26INO2 MolecularWeight: 547.42671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)I

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)I

InChI

InChI=1S/C29H26INO2/c30-27(28(32)33-22-23-13-5-1-6-14-23)21-31-29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27,31H,21-22H2