disodium 2-[2-bromanyl-1-(phenylmethyl)-5-(3-phosphonatopropoxy)indol-3-yl]ethanamide

Systemtic Name: disodium 2-[2-bromanyl-1-(phenylmethyl)-5-(3-phosphonatopropoxy)indol-3-yl]ethanamide Openeye Name: disodium 2-[1-benzyl-2-bromo-5-(3-phosphonatopropoxy)indol-3-yl]acetamide CAS Name: disodium 2-[2-bromo-1-(phenylmethyl)-5-(3-phosphonatopropoxy)-3-indolyl]acetamide IUPAC Name: disodium 2-[1-benzyl-2-bromo-5-(3-phosphonatopropoxy)indol-3-yl]acetamide Traditional Name: disodium 2-[1-benzyl-2-bromo-5-(3-phosphonatopropoxy)indol-3-yl]acetamide Formula: C20H20BrN2Na2O5P MolecularWeight: 525.240501

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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.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCCCP(=O)([O-])[O-])C(=C2Br)CC(=O)N.[Na+].[Na+]

InChI

InChI=1S/C20H22BrN2O5P.2Na/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);;/q;2*+1/p-2