| SpectraBase Spectrum ID |
LgPtuYKgJok |
| Name |
(1S,2S)-4-[4-[(5-chloro-2-methoxy-benzoyl)amino]phenyl]-2-(4-fluorophenyl)-6-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H25ClFNO5 |
| InChI |
InChI=1S/C29H25ClFNO5/c1-3-37-29(35)27-23(18-4-9-21(31)10-5-18)14-19(15-25(27)33)17-6-11-22(12-7-17)32-28(34)24-16-20(30)8-13-26(24)36-2/h4-14,16,23,27H,3,15H2,1-2H3,(H,32,34)/t23-,27+/m1/s1 |
| InChIKey |
GTMQPASSQUZJRF-KCWPFWIISA-N |
| Molecular Weight |
521.972 g/mol |
| SMILES |
N(C(c1c(ccc(c1)Cl)OC)=O)c1ccc(C=2CC([C@]([C@](C2)(c2ccc(cc2)F)[H])(C(=O)OCC)[H])=O)cc1 |
| SPLASH |
splash10-004i-0090010000-73bdd29710c018ca47fa |
| Source of Spectrum |
AH-138-1026-14 |
| Synonyms |
(1S,2S)-4-[4-[[(5-chloro-2-methoxyphenyl)-oxomethyl]amino]phenyl]-2-(4-fluorophenyl)-6-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester
ethyl (1S,2S)-4-[4-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]phenyl]-2-(4-fluorophenyl)-6-oxidanylidene-cyclohex-3-ene-1-carboxylate
ethyl (1S,2S)-4-[4-[(5-chloro-2-methoxy-benzoyl)amino]phenyl]-2-(4-fluorophenyl)-6-oxo-cyclohex-3-ene-1-carboxylate |
| Wiley ID |
1612483 |
![(1S,2S)-4-[4-[(5-chloro-2-methoxy-benzoyl)amino]phenyl]-2-(4-fluorophenyl)-6-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester](/api/spectrum/LgPtuYKgJok/structure.png?h=300&w=458 "(1S,2S)-4-[4-[(5-chloro-2-methoxy-benzoyl)amino]phenyl]-2-(4-fluorophenyl)-6-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester")
