[4-[[2-azanylethyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[2-azanylethyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[(4-allyloxyphenyl)methyl-(2-aminoethyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[2-aminoethyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[2-aminoethyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[(4-allyloxybenzyl)-(2-aminoethyl)amino]methyl]benzyl]phosphonic acid Formula: C20H27N2O4P MolecularWeight: 390.413141

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)CN(CCN)CC2=CC=C(C=C2)CP(=O)(O)O

Isomeric SMILES

C=CCOC1=CC=C(C=C1)CN(CCN)CC2=CC=C(C=C2)CP(=O)(O)O

InChI

InChI=1S/C20H27N2O4P/c1-2-13-26-20-9-7-18(8-10-20)15-22(12-11-21)14-17-3-5-19(6-4-17)16-27(23,24)25/h2-10H,1,11-16,21H2,(H2,23,24,25)