iodanylmethane; methyl 4-[3-(diethylamino)propanoylamino]-2-oxidanyl-benzoate

Systemtic Name: iodanylmethane; methyl 4-[3-(diethylamino)propanoylamino]-2-oxidanyl-benzoate Openeye Name: iodomethane; methyl 4-[3-(diethylamino)propanoylamino]-2-hydroxy-benzoate CAS Name: 4-[[3-(diethylamino)-1-oxopropyl]amino]-2-hydroxybenzoic acid methyl ester; iodomethane IUPAC Name: iodomethane; methyl 4-[3-(diethylamino)propanoylamino]-2-hydroxybenzoate Traditional Name: 4-[3-(diethylamino)propanoylamino]-2-hydroxy-benzoic acid methyl ester; iodomethane Formula: C16H25IN2O4 MolecularWeight: 436.28517

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)NC1=CC(=C(C=C1)C(=O)OC)O.CI

Isomeric SMILES

CCN(CC)CCC(=O)NC1=CC(=C(C=C1)C(=O)OC)O.CI

InChI

InChI=1S/C15H22N2O4.CH3I/c1-4-17(5-2)9-8-14(19)16-11-6-7-12(13(18)10-11)15(20)21-3;1-2/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,16,19);1H3