(3S,4aR,6S,8aR)-6-[(4-Carboxyphenyl)methyl]decahydro-3-isoquinolinecarboxylic acid

CAS Registry Number®

211566-75-5

CAS Name

(3S,4aR,6S,8aR)-6-[(4-Carboxyphenyl)methyl]decahydro-3-isoquinolinecarboxylic acid

Molecular Formula

C18H23NO4

Molecular Mass

317.38

Cite this Page

(3S,4aR,6S,8aR)-6-[(4-Carboxyphenyl)methyl]decahydro-3-isoquinolinecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=211566-75-5 (retrieved 2024-12-22) (CAS RN: 211566-75-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1

InChIKey

InChIKey=YVMADKYPKNLVGU-BVUBDWEXSA-N

SMILES

C([C@@H]1C[C@]2([C@@](CC1)(CN[C@H](C(O)=O)C2)[H])[H])C3=CC=C(C(O)=O)C=C3

Canonical SMILES

O=C(O)C1=CC=C(C=C1)CC2CCC3CNC(C(=O)O)CC3C2

Other Names for this Substance

  • 3-Isoquinolinecarboxylic acid, 6-[(4-carboxyphenyl)methyl]decahydro-, (3S,4aR,6S,8aR)-
  • (3S,4aR,6S,8aR)-6-[(4-Carboxyphenyl)methyl]decahydro-3-isoquinolinecarboxylic acid
  • LY 382884

CAS INSIGHTSTM
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