3-[2-ethyl-3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-5-yl]oxypropyl-methoxy-phosphinic acid

Systemtic Name: 3-[2-ethyl-3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-5-yl]oxypropyl-methoxy-phosphinic acid Openeye Name: 3-(3-acetonyl-1-benzyl-2-ethyl-indol-5-yl)oxypropyl-methoxy-phosphinic acid CAS Name: 3-[[2-ethyl-3-(2-oxopropyl)-1-(phenylmethyl)-5-indolyl]oxy]propyl-methoxyphosphinic acid IUPAC Name: 3-[1-benzyl-2-ethyl-3-(2-oxopropyl)indol-5-yl]oxypropyl-methoxyphosphinic acid Traditional Name: 3-(3-acetonyl-1-benzyl-2-ethyl-indol-5-yl)oxypropyl-methoxy-phosphinic acid Formula: C24H30NO5P MolecularWeight: 443.472461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30NO5P/c1-4-23-21(15-18(2)26)22-16-20(30-13-8-14-31(27,28)29-3)11-12-24(22)25(23)17-19-9-6-5-7-10-19/h5-7,9-12,16H,4,8,13-15,17H2,1-3H3,(H,27,28)