3-[3-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid

Systemtic Name: 3-[3-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-[1-benzyl-3-(2-ethoxy-2-oxo-ethyl)indol-5-yl]oxypropylphosphonic acid CAS Name: 3-[[3-(2-ethoxy-2-oxoethyl)-1-(phenylmethyl)-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[1-benzyl-3-(2-ethoxy-2-oxoethyl)indol-5-yl]oxypropylphosphonic acid Traditional Name: 3-[1-benzyl-3-(2-ethoxy-2-keto-ethyl)indol-5-yl]oxypropylphosphonic acid Formula: C22H26NO6P MolecularWeight: 431.418701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CN(C2=C1C=C(C=C2)OCCCP(=O)(O)O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=CN(C2=C1C=C(C=C2)OCCCP(=O)(O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H26NO6P/c1-2-28-22(24)13-18-16-23(15-17-7-4-3-5-8-17)21-10-9-19(14-20(18)21)29-11-6-12-30(25,26)27/h3-5,7-10,14,16H,2,6,11-13,15H2,1H3,(H2,25,26,27)