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

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

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCCCP(=O)(O)O)C(=C2Br)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCCCP(=O)(O)O)C(=C2Br)CC(=O)N

InChI

InChI=1S/C20H22BrN2O5P/c21-20-17(12-19(22)24)16-11-15(28-9-4-10-29(25,26)27)7-8-18(16)23(20)13-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H2,22,24)(H2,25,26,27)