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

Systemtic Name: [4-[[[3-(aminomethyl)phenyl]methyl-[(1-ethanoylindol-3-yl)methyl]amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[(1-acetylindol-3-yl)methyl-[[3-(aminomethyl)phenyl]methyl]amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[(1-acetyl-3-indolyl)methyl-[[3-(aminomethyl)phenyl]methyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[(1-acetylindol-3-yl)methyl-[[3-(aminomethyl)phenyl]methyl]amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[(1-acetylindol-3-yl)methyl-[3-(aminomethyl)benzyl]amino]methyl]benzyl]phosphonic acid Formula: C27H30N3O4P MolecularWeight: 491.518561

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)CN(CC3=CC=C(C=C3)CP(=O)(O)O)CC4=CC=CC(=C4)CN

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)CN(CC3=CC=C(C=C3)CP(=O)(O)O)CC4=CC=CC(=C4)CN

InChI

InChI=1S/C27H30N3O4P/c1-20(31)30-18-25(26-7-2-3-8-27(26)30)17-29(16-24-6-4-5-23(13-24)14-28)15-21-9-11-22(12-10-21)19-35(32,33)34/h2-13,18H,14-17,19,28H2,1H3,(H2,32,33,34)