[4-[[2-azanylethyl-[(1-ethanoylindol-3-yl)methyl]amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[2-azanylethyl-[(1-ethanoylindol-3-yl)methyl]amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[(1-acetylindol-3-yl)methyl-(2-aminoethyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[(1-acetyl-3-indolyl)methyl-(2-aminoethyl)amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[(1-acetylindol-3-yl)methyl-(2-aminoethyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[(1-acetylindol-3-yl)methyl-(2-aminoethyl)amino]methyl]benzyl]phosphonic acid Formula: C21H26N3O4P MolecularWeight: 415.422601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N3O4P/c1-16(25)24-14-19(20-4-2-3-5-21(20)24)13-23(11-10-22)12-17-6-8-18(9-7-17)15-29(26,27)28/h2-9,14H,10-13,15,22H2,1H3,(H2,26,27,28)