Benzoic acid, 4-methyl-, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene ester

CAS Registry Number®

75626-99-2

CAS Name

Benzoic acid, 4-methyl-, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene ester

Molecular Formula

C28H31NO5

Molecular Mass

461.55

Cite this Page

Benzoic acid, 4-methyl-, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75626-99-2 (retrieved 2024-10-05) (CAS RN: 75626-99-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-23-14-22(25(30)17-29-28(3,4)5)15-24(16-23)34-27(32)21-12-8-19(2)9-13-21/h6-16,25,29-30H,17H2,1-5H3

InChIKey

InChIKey=GYJSIOWQEUTITA-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC=C(C)C=C1)C2=CC(OC(=O)C3=CC=C(C)C=C3)=CC(C(CNC(C)(C)C)O)=C2

Canonical SMILES

O=C(OC=1C=C(OC(=O)C2=CC=C(C=C2)C)C=C(C1)C(O)CNC(C)(C)C)C3=CC=C(C=C3)C

Other Names for this Substance

  • Benzoic acid, 4-methyl-, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene ester
  • Tobuterol

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