[(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodanyl-5-methyl-hexan-2-yl] ethanoate

Systemtic Name: [(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodanyl-5-methyl-hexan-2-yl] ethanoate Openeye Name: [(1S,2S)-2-(dibenzylamino)-1-(iodomethyl)-4-methyl-pentyl] acetate CAS Name: acetic acid [(2S,3S)-3-[bis(phenylmethyl)amino]-1-iodo-5-methylhexan-2-yl] ester IUPAC Name: [(2S,3S)-3-(dibenzylamino)-1-iodo-5-methylhexan-2-yl] acetate Traditional Name: acetic acid [(1S,2S)-2-(dibenzylamino)-1-(iodomethyl)-4-methyl-pentyl] ester Formula: C23H30INO2 MolecularWeight: 479.39427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30INO2/c1-18(2)14-22(23(15-24)27-19(3)26)25(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-13,18,22-23H,14-17H2,1-3H3/t22-,23+/m0/s1