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

Systemtic Name: 1-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-bromanyl-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid Openeye Name: 1-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-bromo-indol-5-yl]oxypropylphosphonic acid CAS Name: 1-[[3-(2-amino-2-oxoethyl)-2-bromo-1-(phenylmethyl)-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 1-[3-(2-amino-2-oxoethyl)-1-benzyl-2-bromoindol-5-yl]oxypropylphosphonic acid Traditional Name: 1-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-bromo-indol-5-yl]oxypropylphosphonic acid Formula: C20H22BrN2O5P MolecularWeight: 481.276841

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=CC2=C(C=C1)N(C(=C2CC(=O)N)Br)CC3=CC=CC=C3)P(=O)(O)O

Isomeric SMILES

CCC(OC1=CC2=C(C=C1)N(C(=C2CC(=O)N)Br)CC3=CC=CC=C3)P(=O)(O)O

InChI

InChI=1S/C20H22BrN2O5P/c1-2-19(29(25,26)27)28-14-8-9-17-15(10-14)16(11-18(22)24)20(21)23(17)12-13-6-4-3-5-7-13/h3-10,19H,2,11-12H2,1H3,(H2,22,24)(H2,25,26,27)