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

Systemtic Name: [3-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)indol-5-yl]carbonylphosphonic acid Openeye Name: [1-benzyl-3-(2-ethoxy-2-oxo-ethyl)indole-5-carbonyl]phosphonic acid CAS Name: [[3-(2-ethoxy-2-oxoethyl)-1-(phenylmethyl)-5-indolyl]-oxomethyl]phosphonic acid IUPAC Name: [1-benzyl-3-(2-ethoxy-2-oxoethyl)indole-5-carbonyl]phosphonic acid Traditional Name: [1-benzyl-3-(2-ethoxy-2-keto-ethyl)indole-5-carbonyl]phosphonic acid Formula: C20H20NO6P MolecularWeight: 401.349661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20NO6P/c1-2-27-19(22)11-16-13-21(12-14-6-4-3-5-7-14)18-9-8-15(10-17(16)18)20(23)28(24,25)26/h3-10,13H,2,11-12H2,1H3,(H2,24,25,26)