| SpectraBase Spectrum ID |
6Zyo7aicV5p |
| Name |
(+,-)-trans-3-(1,3-benzodioxol-5-yl)-4-(carboxymethyl)-3,4-dihydro-2-methyl-1(2H)-isoquinolone |
| Alternate Name(s) |
[(3S,4S)-3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinyl]acetic acid |
| CAS Registry Number |
113975-97-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H17NO5 |
| InChI |
InChI=1S/C19H17NO5/c1-20-18(11-6-7-15-16(8-11)25-10-24-15)14(9-17(21)22)12-4-2-3-5-13(12)19(20)23/h2-8,14,18H,9-10H2,1H3,(H,21,22)/t14-,18+/m0/s1 |
| InChIKey |
WDSHXGDUFWDZTL-KBXCAEBGSA-N |
| Molecular Weight |
339.347 g/mol |
| SMILES |
OC(C[C@@]1([C@](N(C(c2ccccc12)=O)C)(c1cc2OCOc2cc1)[H])[H])=O |
| SPLASH |
splash10-004s-0975000000-000b574576d7251afd6a |
| Source of Spectrum |
J-53-2380-7 |
| Wiley ID |
1334493 |
