N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]-3-phenyl-propan-1-amine

Systemtic Name: N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]-3-phenyl-propan-1-amine Openeye Name: N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]-3-phenyl-propan-1-amine CAS Name: N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]-3-phenyl-1-propanamine IUPAC Name: N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]-3-phenylpropan-1-amine Traditional Name: [1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]-(3-phenylpropyl)amine Formula: C21H28NO5P MolecularWeight: 405.424481

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC2=C(C=C1)OCO2)NCCCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC2=C(C=C1)OCO2)NCCCC3=CC=CC=C3)OCC

InChI

InChI=1S/C21H28NO5P/c1-3-26-28(23,27-4-2)21(18-12-13-19-20(15-18)25-16-24-19)22-14-8-11-17-9-6-5-7-10-17/h5-7,9-10,12-13,15,21-22H,3-4,8,11,14,16H2,1-2H3