2-[[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]carbamoyl]benzoic acid CAS Name: 2-[[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]carbamoyl]benzoic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CNC(=O)C2=CC=CC=C2C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CNC(=O)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C21H25NO5/c1-21(2,3)14-8-10-16(11-9-14)27-13-15(23)12-22-19(24)17-6-4-5-7-18(17)20(25)26/h4-11,15,23H,12-13H2,1-3H3,(H,22,24)(H,25,26)