3-[3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid

Systemtic Name: 3-[3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-(3-acetonyl-1-benzyl-indol-5-yl)oxypropylphosphonic acid CAS Name: 3-[[3-(2-oxopropyl)-1-(phenylmethyl)-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[1-benzyl-3-(2-oxopropyl)indol-5-yl]oxypropylphosphonic acid Traditional Name: 3-(3-acetonyl-1-benzyl-indol-5-yl)oxypropylphosphonic acid Formula: C21H24NO5P MolecularWeight: 401.392721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CN(C2=C1C=C(C=C2)OCCCP(=O)(O)O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CC1=CN(C2=C1C=C(C=C2)OCCCP(=O)(O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24NO5P/c1-16(23)12-18-15-22(14-17-6-3-2-4-7-17)21-9-8-19(13-20(18)21)27-10-5-11-28(24,25)26/h2-4,6-9,13,15H,5,10-12,14H2,1H3,(H2,24,25,26)