2-(iodanylmethyl)-3-[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]oxy-benzoic acid

Systemtic Name: 2-(iodanylmethyl)-3-[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]oxy-benzoic acid Openeye Name: 3-[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]oxy-2-(iodomethyl)benzoic acid CAS Name: 2-(iodomethyl)-3-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentoxy]benzoic acid IUPAC Name: 2-(iodomethyl)-3-[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]oxybenzoic acid Traditional Name: 3-[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]oxy-2-(iodomethyl)benzoic acid Formula: C22H24INO6 MolecularWeight: 525.33353

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC=CC(=C1CI)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC=CC(=C1CI)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24INO6/c1-3-14(2)19(24-22(28)29-13-15-8-5-4-6-9-15)21(27)30-18-11-7-10-16(20(25)26)17(18)12-23/h4-11,14,19H,3,12-13H2,1-2H3,(H,24,28)(H,25,26)