[3-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanyl-propyl]-(cyclohexylmethyl)phosphinic acid

Systemtic Name: [3-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanyl-propyl]-(cyclohexylmethyl)phosphinic acid Openeye Name: [3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxy-propyl]-(cyclohexylmethyl)phosphinic acid CAS Name: [3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid IUPAC Name: [3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid Traditional Name: cyclohexylmethyl-[2-hydroxy-3-(piperonylamino)propyl]phosphinic acid Formula: C18H28NO5P MolecularWeight: 369.392381

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CP(=O)(CC(CNCC2=CC3=C(C=C2)OCO3)O)O

Isomeric SMILES

C1CCC(CC1)CP(=O)(CC(CNCC2=CC3=C(C=C2)OCO3)O)O

InChI

InChI=1S/C18H28NO5P/c20-16(12-25(21,22)11-14-4-2-1-3-5-14)10-19-9-15-6-7-17-18(8-15)24-13-23-17/h6-8,14,16,19-20H,1-5,9-13H2,(H,21,22)