3-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-3-(phenylmethyl)indol-6-yl]oxypropylphosphonic acid

Systemtic Name: 3-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-3-(phenylmethyl)indol-6-yl]oxypropylphosphonic acid Openeye Name: 3-[1-(2-amino-2-oxo-ethyl)-3-benzyl-2-ethyl-indol-6-yl]oxypropylphosphonic acid CAS Name: 3-[[1-(2-amino-2-oxoethyl)-2-ethyl-3-(phenylmethyl)-6-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[1-(2-amino-2-oxoethyl)-3-benzyl-2-ethylindol-6-yl]oxypropylphosphonic acid Traditional Name: 3-[1-(2-amino-2-keto-ethyl)-3-benzyl-2-ethyl-indol-6-yl]oxypropylphosphonic acid Formula: C22H27N2O5P MolecularWeight: 430.433941

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC(=O)N)C=C(C=C2)OCCCP(=O)(O)O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C2=C(N1CC(=O)N)C=C(C=C2)OCCCP(=O)(O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N2O5P/c1-2-20-19(13-16-7-4-3-5-8-16)18-10-9-17(29-11-6-12-30(26,27)28)14-21(18)24(20)15-22(23)25/h3-5,7-10,14H,2,6,11-13,15H2,1H3,(H2,23,25)(H2,26,27,28)