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

Systemtic Name: 3-[2-methyl-3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-(3-acetonyl-1-benzyl-2-methyl-indol-5-yl)oxypropylphosphonic acid CAS Name: 3-[[2-methyl-3-(2-oxopropyl)-1-(phenylmethyl)-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[1-benzyl-2-methyl-3-(2-oxopropyl)indol-5-yl]oxypropylphosphonic acid Traditional Name: 3-(3-acetonyl-1-benzyl-2-methyl-indol-5-yl)oxypropylphosphonic acid Formula: C22H26NO5P MolecularWeight: 415.419301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)C

InChI

InChI=1S/C22H26NO5P/c1-16(24)13-20-17(2)23(15-18-7-4-3-5-8-18)22-10-9-19(14-21(20)22)28-11-6-12-29(25,26)27/h3-5,7-10,14H,6,11-13,15H2,1-2H3,(H2,25,26,27)