sodium 3-[2-oxidanylidene-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]benzoate

Systemtic Name: sodium 3-[2-oxidanylidene-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]benzoate Openeye Name: sodium 3-[3-(4-isopropylphenoxy)-2-oxo-pyrrolidin-1-yl]benzoate CAS Name: sodium 3-[2-oxo-3-(4-propan-2-ylphenoxy)-1-pyrrolidinyl]benzoate IUPAC Name: sodium 3-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]benzoate Traditional Name: sodium 3-[3-(4-isopropylphenoxy)-2-keto-pyrrolidino]benzoate Formula: C20H20NNaO4 MolecularWeight: 361.36687

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2CCN(C2=O)C3=CC=CC(=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2CCN(C2=O)C3=CC=CC(=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H21NO4.Na/c1-13(2)14-6-8-17(9-7-14)25-18-10-11-21(19(18)22)16-5-3-4-15(12-16)20(23)24;/h3-9,12-13,18H,10-11H2,1-2H3,(H,23,24);/q;+1/p-1