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

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-(phenylmethyl)-2-propyl-indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-propyl-indol-5-yl]oxypropylphosphonic acid CAS Name: 3-[[3-(2-amino-2-oxoethyl)-1-(phenylmethyl)-2-propyl-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-propylindol-5-yl]oxypropylphosphonic acid Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-propyl-indol-5-yl]oxypropylphosphonic acid Formula: C23H29N2O5P MolecularWeight: 444.460521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)N

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)N

InChI

InChI=1S/C23H29N2O5P/c1-2-7-21-20(15-23(24)26)19-14-18(30-12-6-13-31(27,28)29)10-11-22(19)25(21)16-17-8-4-3-5-9-17/h3-5,8-11,14H,2,6-7,12-13,15-16H2,1H3,(H2,24,26)(H2,27,28,29)