Details
Stereochemistry | RACEMIC |
Molecular Formula | C18H20N2O.C4H4O4 |
Molecular Weight | 396.4364 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1CCN2C(C1)C3=C(OC4=C2C=C(C)C=C4)C=CC=C3
InChI
InChIKey=AWRICOJVWDPBQF-BTJKTKAUSA-N
InChI=1S/C18H20N2O.C4H4O4/c1-13-7-8-18-15(11-13)20-10-9-19(2)12-16(20)14-5-3-4-6-17(14)21-18;5-3(6)1-2-4(7)8/h3-8,11,16H,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Molecular Formula | C18H20N2O |
Molecular Weight | 280.3642 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:19:29 GMT 2023
by
admin
on
Sat Dec 16 09:19:29 GMT 2023
|
Record UNII |
MP745KP49D
|
Record Status |
Validated (UNII)
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Record Version |
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-
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10363345
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MP745KP49D
Created by
admin on Sat Dec 16 09:19:30 GMT 2023 , Edited by admin on Sat Dec 16 09:19:30 GMT 2023
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40132-36-3
Created by
admin on Sat Dec 16 09:19:30 GMT 2023 , Edited by admin on Sat Dec 16 09:19:30 GMT 2023
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PRIMARY |