3-[6-chloranyl-3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid

Systemtic Name: 3-[6-chloranyl-3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-(3-acetonyl-1-benzyl-6-chloro-indol-5-yl)oxypropylphosphonic acid CAS Name: 3-[[6-chloro-3-(2-oxopropyl)-1-(phenylmethyl)-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[1-benzyl-6-chloro-3-(2-oxopropyl)indol-5-yl]oxypropylphosphonic acid Traditional Name: 3-(3-acetonyl-1-benzyl-6-chloro-indol-5-yl)oxypropylphosphonic acid Formula: C21H23ClNO5P MolecularWeight: 435.837781

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CN(C2=CC(=C(C=C21)OCCCP(=O)(O)O)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CC1=CN(C2=CC(=C(C=C21)OCCCP(=O)(O)O)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H23ClNO5P/c1-15(24)10-17-14-23(13-16-6-3-2-4-7-16)20-12-19(22)21(11-18(17)20)28-8-5-9-29(25,26)27/h2-4,6-7,11-12,14H,5,8-10,13H2,1H3,(H2,25,26,27)