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

Systemtic Name: 3-[2-cyclopropyl-3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-(3-acetonyl-1-benzyl-2-cyclopropyl-indol-5-yl)oxypropylphosphonic acid CAS Name: 3-[[2-cyclopropyl-3-(2-oxopropyl)-1-(phenylmethyl)-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[1-benzyl-2-cyclopropyl-3-(2-oxopropyl)indol-5-yl]oxypropylphosphonic acid Traditional Name: 3-(3-acetonyl-1-benzyl-2-cyclopropyl-indol-5-yl)oxypropylphosphonic acid Formula: C24H28NO5P MolecularWeight: 441.456581

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(N(C2=C1C=C(C=C2)OCCCP(=O)(O)O)CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(=O)CC1=C(N(C2=C1C=C(C=C2)OCCCP(=O)(O)O)CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C24H28NO5P/c1-17(26)14-22-21-15-20(30-12-5-13-31(27,28)29)10-11-23(21)25(24(22)19-8-9-19)16-18-6-3-2-4-7-18/h2-4,6-7,10-11,15,19H,5,8-9,12-14,16H2,1H3,(H2,27,28,29)