| SpectraBase Spectrum ID |
3QqKvFB5mJ5 |
| Name |
trans-3-(1,3-Benzodioxol-5-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-oxo-4-isoquinolineacetic acid |
| CAS Registry Number |
64036-04-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21NO7 |
| InChI |
InChI=1S/C21H21NO7/c1-22-20(11-4-5-15-18(6-11)29-10-28-15)13(9-19(23)24)12-7-16(26-2)17(27-3)8-14(12)21(22)25/h4-8,13,20H,9-10H2,1-3H3,(H,23,24)/t13-,20+/m0/s1 |
| InChIKey |
KRXNEZZODVFTOK-RNODOKPDSA-N |
| Molecular Weight |
399.399 g/mol |
| SMILES |
OC(C[C@]1(c2cc(OC)c(cc2C(N([C@@]1(c1cc2OCOc2cc1)[H])C)=O)OC)[H])=O |
| SPLASH |
splash10-0a4j-0697100000-703a057c1c922e727ead |
| Source of Spectrum |
J-53-2380-9 |
| Synonyms |
(+,-)-trans-3-(1,3-benzodioxol-5-yl)-4-(carboxymethyl)-3,4-dihydro-6,7-dimethoxy-2-methyl-1(2H)-isoquinolone
[(3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinyl]acetic acid |
| Wiley ID |
1368942 |
