[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-iodanyl-benzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-iodanyl-benzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C17H25IN2O3 MolecularWeight: 432.29647

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)I)N

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)I)N

InChI

InChI=1S/C17H25IN2O3/c1-11(2)5-4-6-12(3)20-16(21)10-23-17(22)14-9-13(18)7-8-15(14)19/h7-9,11-12H,4-6,10,19H2,1-3H3,(H,20,21)