Benzoic acid, 4-[3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]-, ethyl ester

CAS Registry Number®

898789-87-2
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CAS Name

Benzoic acid, 4-[3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]-, ethyl ester

Molecular Formula

C21H21NO3

Molecular Mass

335.40

Cite this Page

Benzoic acid, 4-[3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898789-87-2 (retrieved 2024-09-08) (CAS RN: 898789-87-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H21NO3/c1-2-25-21(24)18-10-8-17(9-11-18)20(23)19-7-5-6-16(14-19)15-22-12-3-4-13-22/h3-11,14H,2,12-13,15H2,1H3

InChIKey

InChIKey=HBRDJACTSWDEOE-UHFFFAOYSA-N

SMILES

C(=O)(C1=CC(CN2CC=CC2)=CC=C1)C3=CC=C(C(OCC)=O)C=C3

Canonical SMILES

O=C(OCC)C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)CN3CC=CC3

Other Names for this Substance

  • Benzoic acid, 4-[3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]-, ethyl ester
  • Ethyl 4-[3-(2,5-dihydro-1H-pyrrol-1-ylmethyl)benzoyl]benzoate