SpectraBase Spectrum ID |
Eih7gqP4VO0 |
Name |
2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid methyl ester |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C25H25NO4S |
InChI |
InChI=1S/C25H25NO4S/c1-18-12-14-21(15-13-18)31(28,29)26-17-20-10-6-7-11-22(20)23(16-24(27)30-2)25(26)19-8-4-3-5-9-19/h3-15,23,25H,16-17H2,1-2H3/t23-,25-/m0/s1 |
InChIKey |
UZJCTOQKNKJZDL-ZCYQVOJMSA-N |
Molecular Weight |
435.538 g/mol |
SMILES |
[C@@]1(N(S(c2ccc(cc2)C)(=O)=O)Cc2c([C@@]1(CC(=O)OC)[H])cccc2)(c1ccccc1)[H] |
SPLASH |
splash10-001l-3980000000-b67d947e44d6a8b423d5 |
Source of Spectrum |
F-50-10978-6 |
Synonyms |
2-[(3R,4S)-3-phenyl-2-tosyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid methyl ester
Methyl 2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]acetate
Methyl 2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]ethanoate
Methyl 2-[(3R,4S)-3-phenyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-4-yl]acetate |
Wiley ID |
789301 |