3-(Ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrole-1-acetic acid

CAS Registry Number®

679797-47-8

CAS Name

3-(Ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrole-1-acetic acid

Molecular Formula

C16H17NO4

Molecular Mass

287.31

Cite this Page

3-(Ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrole-1-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=679797-47-8 (retrieved 2024-11-24) (CAS RN: 679797-47-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154-156 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H17NO4/c1-3-21-16(20)13-9-14(12-7-5-4-6-8-12)17(11(13)2)10-15(18)19/h4-9H,3,10H2,1-2H3,(H,18,19)

InChIKey

InChIKey=BNYIGLLVRXMHSH-UHFFFAOYSA-N

SMILES

C(C(O)=O)N1C(=CC(C(OCC)=O)=C1C)C2=CC=CC=C2

Canonical SMILES

O=C(OCC)C=1C=C(C=2C=CC=CC2)N(C1C)CC(=O)O

Other Names for this Substance

  • 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-
  • 3-(Ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrole-1-acetic acid
  • (3-Ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)-acetic acid
  • 2-(3-Ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)acetic acid