3-[2-(3,4-Diethoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2-methyl-4-oxo-2,6-methano-2H-1,3-benzoxazocine-5-carboxylic acid

CAS Registry Number®

1005036-74-7
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CAS Name

3-[2-(3,4-Diethoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2-methyl-4-oxo-2,6-methano-2H-1,3-benzoxazocine-5-carboxylic acid

Molecular Formula

C25H29NO6

Molecular Mass

439.50

Cite this Page

3-[2-(3,4-Diethoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2-methyl-4-oxo-2,6-methano-2H-1,3-benzoxazocine-5-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1005036-74-7 (retrieved 2024-09-07) (CAS RN: 1005036-74-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H29NO6/c1-4-30-20-11-10-16(14-21(20)31-5-2)12-13-26-23(27)22(24(28)29)18-15-25(26,3)32-19-9-7-6-8-17(18)19/h6-11,14,18,22H,4-5,12-13,15H2,1-3H3,(H,28,29)

InChIKey

InChIKey=PBDBDEWPQZIOMJ-UHFFFAOYSA-N

SMILES

C(O)(=O)C1C2C=3C(OC(C)(C2)N(CCC4=CC(OCC)=C(OCC)C=C4)C1=O)=CC=CC3

Canonical SMILES

O=C(O)C1C(=O)N(CCC2=CC=C(OCC)C(OCC)=C2)C3(OC=4C=CC=CC4C1C3)C

Other Names for this Substance

  • 2,6-Methano-2H-1,3-benzoxazocine-5-carboxylic acid, 3-[2-(3,4-diethoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2-methyl-4-oxo-
  • 3-[2-(3,4-Diethoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2-methyl-4-oxo-2,6-methano-2H-1,3-benzoxazocine-5-carboxylic acid