Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester

CAS Registry Number®

16006-74-9
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CAS Name

Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester

Molecular Formula

C29H30N2O6

Molecular Mass

502.56

Cite this Page

Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16006-74-9 (retrieved 2024-08-03) (CAS RN: 16006-74-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    115-116 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H30N2O6/c1-5-6-17-23-27(32)30(21-13-9-7-10-14-21)31(22-15-11-8-12-16-22)28(23)37-29(33)20-18-24(34-2)26(36-4)25(19-20)35-3/h7-16,18-19H,5-6,17H2,1-4H3

InChIKey

InChIKey=LAVQJQXAUQINRC-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC(OC)=C(OC)C(OC)=C1)C=2N(N(C(=O)C2CCCC)C3=CC=CC=C3)C4=CC=CC=C4

Canonical SMILES

O=C(OC1=C(C(=O)N(C=2C=CC=CC2)N1C=3C=CC=CC3)CCCC)C4=CC(OC)=C(OC)C(OC)=C4

Other Names for this Substance

  • Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester
  • Benzoic acid, 3,4,5-trimethoxy-, ester with 4-butyl-3-hydroxy-1,2-diphenyl-3-pyrazolin-5-one
  • 3-Pyrazolin-5-one, 4-butyl-3-hydroxy-1,2-diphenyl-, 3,4,5-trimethoxybenzoate (ester)
  • 4-Butyl-1,2-diphenylpyrazol-3-en-5-one-3-(3′,4′,5′-trimethoxybenzoate)
  • Phenylbutazone trimethoxybenzoate

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