[2,3-dihydro-1,4-benzodioxin-6-yl-[(4-methylphenyl)methylamino]methyl]phosphonic acid

Systemtic Name: [2,3-dihydro-1,4-benzodioxin-6-yl-[(4-methylphenyl)methylamino]methyl]phosphonic acid Openeye Name: [2,3-dihydro-1,4-benzodioxin-6-yl-(p-tolylmethylamino)methyl]phosphonic acid CAS Name: [2,3-dihydro-1,4-benzodioxin-6-yl-[(4-methylphenyl)methylamino]methyl]phosphonic acid IUPAC Name: [2,3-dihydro-1,4-benzodioxin-6-yl-[(4-methylphenyl)methylamino]methyl]phosphonic acid Traditional Name: [2,3-dihydro-1,4-benzodioxin-6-yl-[(4-methylbenzyl)amino]methyl]phosphonic acid Formula: C17H20NO5P MolecularWeight: 349.318161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(C2=CC3=C(C=C2)OCCO3)P(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(C2=CC3=C(C=C2)OCCO3)P(=O)(O)O

InChI

InChI=1S/C17H20NO5P/c1-12-2-4-13(5-3-12)11-18-17(24(19,20)21)14-6-7-15-16(10-14)23-9-8-22-15/h2-7,10,17-18H,8-9,11H2,1H3,(H2,19,20,21)