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

Systemtic Name: 3-[2-bromanyl-3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-5-yl]oxypropyl-methoxy-phosphinic acid Openeye Name: 3-(3-acetonyl-1-benzyl-2-bromo-indol-5-yl)oxypropyl-methoxy-phosphinic acid CAS Name: 3-[[2-bromo-3-(2-oxopropyl)-1-(phenylmethyl)-5-indolyl]oxy]propyl-methoxyphosphinic acid IUPAC Name: 3-[1-benzyl-2-bromo-3-(2-oxopropyl)indol-5-yl]oxypropyl-methoxyphosphinic acid Traditional Name: 3-(3-acetonyl-1-benzyl-2-bromo-indol-5-yl)oxypropyl-methoxy-phosphinic acid Formula: C22H25BrNO5P MolecularWeight: 494.315361

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(N(C2=C1C=C(C=C2)OCCCP(=O)(O)OC)CC3=CC=CC=C3)Br

Isomeric SMILES

CC(=O)CC1=C(N(C2=C1C=C(C=C2)OCCCP(=O)(O)OC)CC3=CC=CC=C3)Br

InChI

InChI=1S/C22H25BrNO5P/c1-16(25)13-20-19-14-18(29-11-6-12-30(26,27)28-2)9-10-21(19)24(22(20)23)15-17-7-4-3-5-8-17/h3-5,7-10,14H,6,11-13,15H2,1-2H3,(H,26,27)