1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2R,3aS,7aR)-rel-

CAS Registry Number®

87679-38-7

CAS Name

1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2R,3aS,7aR)-rel-

Molecular Formula

C16H21NO2.ClH

Cite this Page

1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2R,3aS,7aR)-rel-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87679-38-7 (retrieved 2024-11-22) (CAS RN: 87679-38-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H21NO2.ClH/c18-16(19-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)17-15;/h1-3,6-7,13-15,17H,4-5,8-11H2;1H/t13-,14+,15+;/s2

InChIKey

InChIKey=WOXVBEWLLZBVSX-MHMGIWRKNA-N

SMILES

C(OCC1=CC=CC=C1)(=O)[C@@H]2C[C@@]3([C@@](N2)(CCCC3)[H])[H].Cl

Canonical SMILES

Cl.O=C(OCC=1C=CC=CC1)C2NC3CCCCC3C2

Other Names for this Substance

  • 1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2R,3aS,7aR)-rel-
  • 1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride, (2α,3aα,7aβ)-(±)-
  • 1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride, (2α,3aα,7aβ)-

CAS INSIGHTSTM
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