N-[1,3-benzodioxol-5-yl(dibutoxyphosphoryl)methyl]aniline

Systemtic Name: N-[1,3-benzodioxol-5-yl(dibutoxyphosphoryl)methyl]aniline Openeye Name: N-[1,3-benzodioxol-5-yl(dibutoxyphosphoryl)methyl]aniline CAS Name: N-[1,3-benzodioxol-5-yl(dibutoxyphosphoryl)methyl]aniline IUPAC Name: N-[1,3-benzodioxol-5-yl(dibutoxyphosphoryl)methyl]aniline Traditional Name: [1,3-benzodioxol-5-yl(dibutoxyphosphoryl)methyl]-phenyl-amine Formula: C22H30NO5P MolecularWeight: 419.451061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(C(C1=CC2=C(C=C1)OCO2)NC3=CC=CC=C3)OCCCC

Isomeric SMILES

CCCCOP(=O)(C(C1=CC2=C(C=C1)OCO2)NC3=CC=CC=C3)OCCCC

InChI

InChI=1S/C22H30NO5P/c1-3-5-14-27-29(24,28-15-6-4-2)22(23-19-10-8-7-9-11-19)18-12-13-20-21(16-18)26-17-25-20/h7-13,16,22-23H,3-6,14-15,17H2,1-2H3