1,1-Dimethylethyl hexahydro-4-oxo-5-phenyl-1H-azepine-1-carboxylate

CAS Registry Number®

1803562-89-1

CAS Name

1,1-Dimethylethyl hexahydro-4-oxo-5-phenyl-1H-azepine-1-carboxylate

Molecular Formula

C17H23NO3

Molecular Mass

289.37

Cite this Page

1,1-Dimethylethyl hexahydro-4-oxo-5-phenyl-1H-azepine-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1803562-89-1 (retrieved 2024-10-05) (CAS RN: 1803562-89-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-11-9-14(15(19)10-12-18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3

InChIKey

InChIKey=BYKSIHZVMLLOEO-UHFFFAOYSA-N

SMILES

O=C1C(CCN(C(OC(C)(C)C)=O)CC1)C2=CC=CC=C2

Canonical SMILES

O=C(OC(C)(C)C)N1CCC(=O)C(C=2C=CC=CC2)CC1

Other Names for this Substance

  • 1H-Azepine-1-carboxylic acid, hexahydro-4-oxo-5-phenyl-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl hexahydro-4-oxo-5-phenyl-1H-azepine-1-carboxylate

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