Phenylmethyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

CAS Registry Number®

77497-96-2

CAS Name

Phenylmethyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

Molecular Formula

C17H17NO2

Molecular Mass

267.32

Cite this Page

Phenylmethyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77497-96-2 (retrieved 2024-12-19) (CAS RN: 77497-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H17NO2/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16/h1-9,16,18H,10-12H2/t16-/m0/s1

InChIKey

InChIKey=CAKWIRNQEKMHOR-INIZCTEOSA-N

SMILES

C(OCC1=CC=CC=C1)(=O)[C@@H]2CC=3C(CN2)=CC=CC3

Canonical SMILES

O=C(OCC=1C=CC=CC1)C2NCC=3C=CC=CC3C2

Other Names for this Substance

  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (S)-
  • Phenylmethyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate
  • Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate
  • (S)-Benzyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

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