Ethyl 1′-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d]isoxazole-6,4′-piperidine]-3-carboxylate

CAS Registry Number®

303152-94-5
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CAS Name

Ethyl 1′-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d]isoxazole-6,4′-piperidine]-3-carboxylate

Molecular Formula

C19H21ClF3N3O5

Molecular Mass

463.84

Cite this Page

Ethyl 1′-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d]isoxazole-6,4′-piperidine]-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=303152-94-5 (retrieved 2024-09-09) (CAS RN: 303152-94-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H21ClF3N3O5/c1-2-28-17(27)15-12-9-29-18(30-10-14(12)31-25-15)3-5-26(6-4-18)16-13(20)7-11(8-24-16)19(21,22)23/h7-8,12,14H,2-6,9-10H2,1H3

InChIKey

InChIKey=FQVUCPAGJQKIMR-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C2COC3(OCC2ON1)CCN(CC3)C4=C(Cl)C=C(C(F)(F)F)C=N4

Canonical SMILES

O=C(OCC)C1=NOC2COC3(OCC12)CCN(C4=NC=C(C=C4Cl)C(F)(F)F)CC3

Other Names for this Substance

  • Spiro[[1,3]dioxepino[5,6-d]isoxazole-6,4′-piperidine]-3-carboxylic acid, 1′-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3a,4,8,8a-tetrahydro-, ethyl ester
  • Ethyl 1′-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d]isoxazole-6,4′-piperidine]-3-carboxylate