disodium 2-[2-ethyl-1-(phenylmethyl)-5-(3-phosphonatopropoxy)-4-prop-2-enyl-indol-3-yl]ethanamide

Systemtic Name: disodium 2-[2-ethyl-1-(phenylmethyl)-5-(3-phosphonatopropoxy)-4-prop-2-enyl-indol-3-yl]ethanamide Openeye Name: disodium 2-[4-allyl-1-benzyl-2-ethyl-5-(3-phosphonatopropoxy)indol-3-yl]acetamide CAS Name: disodium 2-[2-ethyl-1-(phenylmethyl)-5-(3-phosphonatopropoxy)-4-prop-2-enyl-3-indolyl]acetamide IUPAC Name: disodium 2-[1-benzyl-2-ethyl-5-(3-phosphonatopropoxy)-4-prop-2-enylindol-3-yl]acetamide Traditional Name: disodium 2-[4-allyl-1-benzyl-2-ethyl-5-(3-phosphonatopropoxy)indol-3-yl]acetamide Formula: C25H29N2Na2O5P MolecularWeight: 514.461461

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2CC=C)OCCCP(=O)([O-])[O-])CC(=O)N.[Na+].[Na+]

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2CC=C)OCCCP(=O)([O-])[O-])CC(=O)N.[Na+].[Na+]

InChI

InChI=1S/C25H31N2O5P.2Na/c1-3-9-19-23(32-14-8-15-33(29,30)31)13-12-22-25(19)20(16-24(26)28)21(4-2)27(22)17-18-10-6-5-7-11-18;;/h3,5-7,10-13H,1,4,8-9,14-17H2,2H3,(H2,26,28)(H2,29,30,31);;/q;2*+1/p-2