[(2S)-2-(iodanylmethyl)-7-(phenylmethoxycarbonylamino)heptyl] ethanoate

Systemtic Name: [(2S)-2-(iodanylmethyl)-7-(phenylmethoxycarbonylamino)heptyl] ethanoate Openeye Name: [(2S)-7-(benzyloxycarbonylamino)-2-(iodomethyl)heptyl] acetate CAS Name: acetic acid [(2S)-2-(iodomethyl)-7-(phenylmethoxycarbonylamino)heptyl] ester IUPAC Name: [(2S)-2-(iodomethyl)-7-(phenylmethoxycarbonylamino)heptyl] acetate Traditional Name: acetic acid [(2S)-7-(benzyloxycarbonylamino)-2-(iodomethyl)heptyl] ester Formula: C18H26INO4 MolecularWeight: 447.30781

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCCCCNC(=O)OCC1=CC=CC=C1)CI

Isomeric SMILES

CC(=O)OC[C@H](CCCCCNC(=O)OCC1=CC=CC=C1)CI

InChI

InChI=1S/C18H26INO4/c1-15(21)23-14-17(12-19)10-6-3-7-11-20-18(22)24-13-16-8-4-2-5-9-16/h2,4-5,8-9,17H,3,6-7,10-14H2,1H3,(H,20,22)/t17-/m1/s1