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

Systemtic Name: 3-[1-[(3-chlorophenyl)methyl]-2-ethyl-3-(2-oxidanylidenepropyl)indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-[3-acetonyl-1-[(3-chlorophenyl)methyl]-2-ethyl-indol-5-yl]oxypropylphosphonic acid CAS Name: 3-[[1-[(3-chlorophenyl)methyl]-2-ethyl-3-(2-oxopropyl)-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[1-[(3-chlorophenyl)methyl]-2-ethyl-3-(2-oxopropyl)indol-5-yl]oxypropylphosphonic acid Traditional Name: 3-[3-acetonyl-1-(3-chlorobenzyl)-2-ethyl-indol-5-yl]oxypropylphosphonic acid Formula: C23H27ClNO5P MolecularWeight: 463.890941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClNO5P/c1-3-22-20(12-16(2)26)21-14-19(30-10-5-11-31(27,28)29)8-9-23(21)25(22)15-17-6-4-7-18(24)13-17/h4,6-9,13-14H,3,5,10-12,15H2,1-2H3,(H2,27,28,29)