[(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodanyl-4-phenyl-butan-2-yl] ethanoate

Systemtic Name: [(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodanyl-4-phenyl-butan-2-yl] ethanoate Openeye Name: [(1S,2S)-2-(dibenzylamino)-1-(iodomethyl)-3-phenyl-propyl] acetate CAS Name: acetic acid [(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodo-4-phenylbutan-2-yl] ester IUPAC Name: [(2S,3S)-3-(dibenzylamino)-1-iodo-4-phenylbutan-2-yl] acetate Traditional Name: acetic acid [(1S,2S)-2-(dibenzylamino)-1-(iodomethyl)-3-phenyl-propyl] ester Formula: C26H28INO2 MolecularWeight: 513.41049

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CI)C(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@H](CI)[C@H](CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H28INO2/c1-21(29)30-26(18-27)25(17-22-11-5-2-6-12-22)28(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,25-26H,17-20H2,1H3/t25-,26+/m0/s1