3-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-[(3-chlorophenyl)methyl]-2-ethyl-indol-4-yl]oxypropylphosphonic acid

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-[(3-chlorophenyl)methyl]-2-ethyl-indol-4-yl]oxypropylphosphonic acid Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)-1-[(3-chlorophenyl)methyl]-2-ethyl-indol-4-yl]oxypropylphosphonic acid CAS Name: 3-[[3-(2-amino-2-oxoethyl)-1-[(3-chlorophenyl)methyl]-2-ethyl-4-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)-1-[(3-chlorophenyl)methyl]-2-ethylindol-4-yl]oxypropylphosphonic acid Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-1-(3-chlorobenzyl)-2-ethyl-indol-4-yl]oxypropylphosphonic acid Formula: C22H26ClN2O5P MolecularWeight: 464.879001

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC(=CC=C3)Cl)C=CC=C2OCCCP(=O)(O)O)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC(=CC=C3)Cl)C=CC=C2OCCCP(=O)(O)O)CC(=O)N

InChI

InChI=1S/C22H26ClN2O5P/c1-2-18-17(13-21(24)26)22-19(25(18)14-15-6-3-7-16(23)12-15)8-4-9-20(22)30-10-5-11-31(27,28)29/h3-4,6-9,12H,2,5,10-11,13-14H2,1H3,(H2,24,26)(H2,27,28,29)