lithium 4-[[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonylphenoxy]methyl]benzoate

Systemtic Name: lithium 4-[[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonylphenoxy]methyl]benzoate Openeye Name: lithium 4-[[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]methyl]benzoate CAS Name: lithium 4-[[4-[oxo-[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]phenoxy]methyl]benzoate IUPAC Name: lithium 4-[[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]methyl]benzoate Traditional Name: lithium 4-[[4-[2-(pyrrolidinomethyl)pyrrolidine-1-carbonyl]phenoxy]methyl]benzoate Formula: C24H27LiN2O4 MolecularWeight: 414.42318

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].C1CCN(C1)CC2CCCN2C(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

[Li+].C1CCN(C1)CC2CCCN2C(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C24H28N2O4.Li/c27-23(26-15-3-4-21(26)16-25-13-1-2-14-25)19-9-11-22(12-10-19)30-17-18-5-7-20(8-6-18)24(28)29;/h5-12,21H,1-4,13-17H2,(H,28,29);/q;+1/p-1