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

Systemtic Name: 3-[2-ethyl-3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-(3-acetonyl-1-benzyl-2-ethyl-indol-5-yl)oxypropylphosphonic acid CAS Name: 3-[[2-ethyl-3-(2-oxopropyl)-1-(phenylmethyl)-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[1-benzyl-2-ethyl-3-(2-oxopropyl)indol-5-yl]oxypropylphosphonic acid Traditional Name: 3-(3-acetonyl-1-benzyl-2-ethyl-indol-5-yl)oxypropylphosphonic acid Formula: C23H28NO5P MolecularWeight: 429.445881

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)C

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)C

InChI

InChI=1S/C23H28NO5P/c1-3-22-20(14-17(2)25)21-15-19(29-12-7-13-30(26,27)28)10-11-23(21)24(22)16-18-8-5-4-6-9-18/h4-6,8-11,15H,3,7,12-14,16H2,1-2H3,(H2,26,27,28)