iodanylmethane; methyl 2-oxidanyl-4-(3-piperidin-1-ylpropanoylamino)benzoate

Systemtic Name: iodanylmethane; methyl 2-oxidanyl-4-(3-piperidin-1-ylpropanoylamino)benzoate Openeye Name: iodomethane; methyl 2-hydroxy-4-[3-(1-piperidyl)propanoylamino]benzoate CAS Name: 2-hydroxy-4-[[1-oxo-3-(1-piperidinyl)propyl]amino]benzoic acid methyl ester; iodomethane IUPAC Name: iodomethane; methyl 2-hydroxy-4-(3-piperidin-1-ylpropanoylamino)benzoate Traditional Name: 2-hydroxy-4-(3-piperidinopropanoylamino)benzoic acid methyl ester; iodomethane Formula: C17H25IN2O4 MolecularWeight: 448.29587

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCCCC2)O.CI

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCCCC2)O.CI

InChI

InChI=1S/C16H22N2O4.CH3I/c1-22-16(21)13-6-5-12(11-14(13)19)17-15(20)7-10-18-8-3-2-4-9-18;1-2/h5-6,11,19H,2-4,7-10H2,1H3,(H,17,20);1H3