cesium 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxy-propoxy)-(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: cesium 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxy-propoxy)-(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: cesium 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxy-propoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate CAS Name: cesium 4-cyclohexyl-1-[2-[[2-methyl-1-(1-oxopropoxy)propoxy]-(4-phenylbutyl)phosphoryl]-1-oxoethyl]-2-pyrrolidinecarboxylate IUPAC Name: cesium 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate Traditional Name: cesium 4-cyclohexyl-1-[2-[(2-methyl-1-propionyloxy-propoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate Formula: C30H45CsNO7P MolecularWeight: 695.560011

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)[O-])C3CCCCC3.[Cs+]

Isomeric SMILES

CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)[O-])C3CCCCC3.[Cs+]

InChI

InChI=1S/C30H46NO7P.Cs/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24;/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35);/q;+1/p-1