2-[[Methyl[(3S)-3-(1-naphthalenyloxy)-3-(2-thienyl)propyl]amino]carbonyl]benzoic acid

CAS Registry Number®

199191-67-8

CAS Name

2-[[Methyl[(3S)-3-(1-naphthalenyloxy)-3-(2-thienyl)propyl]amino]carbonyl]benzoic acid

Molecular Formula

C26H23NO4S

Molecular Mass

445.53

Cite this Page

2-[[Methyl[(3S)-3-(1-naphthalenyloxy)-3-(2-thienyl)propyl]amino]carbonyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=199191-67-8 (retrieved 2024-10-07) (CAS RN: 199191-67-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H23NO4S/c1-27(25(28)20-11-4-5-12-21(20)26(29)30)16-15-23(24-14-7-17-32-24)31-22-13-6-9-18-8-2-3-10-19(18)22/h2-14,17,23H,15-16H2,1H3,(H,29,30)/t23-/m0/s1

InChIKey

InChIKey=QYWSULHSCQVWPV-QHCPKHFHSA-N

SMILES

O([C@@H](CCN(C(=O)C1=C(C(O)=O)C=CC=C1)C)C2=CC=CS2)C=3C4=C(C=CC3)C=CC=C4

Canonical SMILES

O=C(O)C=1C=CC=CC1C(=O)N(C)CCC(OC2=CC=CC=3C=CC=CC23)C=4SC=CC4

Other Names for this Substance

  • Benzoic acid, 2-[[methyl[(3S)-3-(1-naphthalenyloxy)-3-(2-thienyl)propyl]amino]carbonyl]-
  • 2-[[Methyl[(3S)-3-(1-naphthalenyloxy)-3-(2-thienyl)propyl]amino]carbonyl]benzoic acid

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox