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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)OC)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)OC)CC(=O)N

InChI

InChI=1S/C23H29N2O5P/c1-3-21-20(15-23(24)26)19-14-18(30-12-7-13-31(27,28)29-2)10-11-22(19)25(21)16-17-8-5-4-6-9-17/h4-6,8-11,14H,3,7,12-13,15-16H2,1-2H3,(H2,24,26)(H,27,28)