Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, (+)-, (2Z)-2-butenedioate

CAS Registry Number®

58997-91-4

CAS Name

Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, (+)-, (2Z)-2-butenedioate

Molecular Formula

C22H29NO5.xC4H4O4

Cite this Page

Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, (+)-, (2Z)-2-butenedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58997-91-4 (retrieved 2024-11-23) (CAS RN: 58997-91-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

InChIKey=FSRLGULMGJGKGI-BTJKTKAUNA-N

SMILES

C(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)(CC)C2=CC=CC=C2.C(=C\C(O)=O)\C(O)=O

Canonical SMILES

O=C(O)C=CC(=O)O.O=C(OCC(C=1C=CC=CC1)(N(C)C)CC)C2=CC(OC)=C(OC)C(OC)=C2

Other Names for this Substance

  • Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, (+)-, (2Z)-2-butenedioate
  • Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, (+)-, (Z)-2-butenedioate

CAS INSIGHTSTM
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