sodium 3-[2-(3-methyl-4-propan-2-yl-phenoxy)propanoylamino]benzoate

Systemtic Name: sodium 3-[2-(3-methyl-4-propan-2-yl-phenoxy)propanoylamino]benzoate Openeye Name: sodium 3-[2-(4-isopropyl-3-methyl-phenoxy)propanoylamino]benzoate CAS Name: sodium 3-[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxopropyl]amino]benzoate IUPAC Name: sodium 3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzoate Traditional Name: sodium 3-[2-(4-isopropyl-3-methyl-phenoxy)propanoylamino]benzoate Formula: C20H22NNaO4 MolecularWeight: 363.38275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)[O-])C(C)C.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)[O-])C(C)C.[Na+]

InChI

InChI=1S/C20H23NO4.Na/c1-12(2)18-9-8-17(10-13(18)3)25-14(4)19(22)21-16-7-5-6-15(11-16)20(23)24;/h5-12,14H,1-4H3,(H,21,22)(H,23,24);/q;+1/p-1