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

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-indol-5-yl]oxypropylphosphonic acid CAS Name: 3-[[3-(2-amino-2-oxoethyl)-1-(phenylmethyl)-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)-1-benzylindol-5-yl]oxypropylphosphonic acid Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-1-benzyl-indol-5-yl]oxypropylphosphonic acid Formula: C20H23N2O5P MolecularWeight: 402.380781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)OCCCP(=O)(O)O)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)OCCCP(=O)(O)O)CC(=O)N

InChI

InChI=1S/C20H23N2O5P/c21-20(23)11-16-14-22(13-15-5-2-1-3-6-15)19-8-7-17(12-18(16)19)27-9-4-10-28(24,25)26/h1-3,5-8,12,14H,4,9-11,13H2,(H2,21,23)(H2,24,25,26)