disodium [(1R)-1-(3-methoxyphenyl)-2-methyl-1-(octanoylamino)propan-2-yl] phosphate

Systemtic Name: disodium [(1R)-1-(3-methoxyphenyl)-2-methyl-1-(octanoylamino)propan-2-yl] phosphate Openeye Name: disodium [(2R)-2-(3-methoxyphenyl)-1,1-dimethyl-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [(1R)-1-(3-methoxyphenyl)-2-methyl-1-(1-oxooctylamino)propan-2-yl] phosphate IUPAC Name: disodium [(1R)-1-(3-methoxyphenyl)-2-methyl-1-(octanoylamino)propan-2-yl] phosphate Traditional Name: disodium [(2R)-2-(caprylylamino)-2-(3-methoxyphenyl)-1,1-dimethyl-ethyl] phosphate Formula: C19H30NNa2O6P MolecularWeight: 445.397901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C1=CC(=CC=C1)OC)C(C)(C)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)N[C@H](C1=CC(=CC=C1)OC)C(C)(C)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C19H32NO6P.2Na/c1-5-6-7-8-9-13-17(21)20-18(19(2,3)26-27(22,23)24)15-11-10-12-16(14-15)25-4;;/h10-12,14,18H,5-9,13H2,1-4H3,(H,20,21)(H2,22,23,24);;/q;2*+1/p-2/t18-;;/m1../s1