N-[diphenylphosphoryl-(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-amine

Systemtic Name: N-[diphenylphosphoryl-(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-amine Openeye Name: N-[diphenylphosphoryl-(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-amine CAS Name: N-[diphenylphosphoryl-(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-amine IUPAC Name: N-[diphenylphosphoryl-(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-amine Traditional Name: 1,3-benzodioxol-5-yl-[diphenylphosphoryl-(4-methoxyphenyl)methyl]amine Formula: C27H24NO4P MolecularWeight: 457.457521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(NC2=CC3=C(C=C2)OCO3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(NC2=CC3=C(C=C2)OCO3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24NO4P/c1-30-22-15-12-20(13-16-22)27(28-21-14-17-25-26(18-21)32-19-31-25)33(29,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-18,27-28H,19H2,1H3