[4-[[3-azanylpropyl-[(1-ethanoylindol-3-yl)methyl]amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[3-azanylpropyl-[(1-ethanoylindol-3-yl)methyl]amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[(1-acetylindol-3-yl)methyl-(3-aminopropyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[(1-acetyl-3-indolyl)methyl-(3-aminopropyl)amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[(1-acetylindol-3-yl)methyl-(3-aminopropyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[(1-acetylindol-3-yl)methyl-(3-aminopropyl)amino]methyl]benzyl]phosphonic acid Formula: C22H28N3O4P MolecularWeight: 429.449181

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)CN(CCCN)CC3=CC=C(C=C3)CP(=O)(O)O

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)CN(CCCN)CC3=CC=C(C=C3)CP(=O)(O)O

InChI

InChI=1S/C22H28N3O4P/c1-17(26)25-15-20(21-5-2-3-6-22(21)25)14-24(12-4-11-23)13-18-7-9-19(10-8-18)16-30(27,28)29/h2-3,5-10,15H,4,11-14,16,23H2,1H3,(H2,27,28,29)