| Properties | Image |
MNX_ID | MNXM30372 |
 |
reference | chebi:48270 |
formula | C16H18N2O2 |
global charge | 0 |
mol weight | 270.332 |
InChIKey | VZMAHZAQMKNJIG-KGLIPLIRSA-N |
InChI | InChI=1S/C16H18N2O2/c1-9(2)6-13-11-4-3-5-12-15(11)10(8-17-12)7-14(18-13)16(19)20/h3-6,8,13-14,17-18H,7H2,1-2H3,(H,19,20)/t13-,14+/m1/s1 |
SMILES | CC(C)=C[C@H]1N[C@H](C(=O)O)CC2=CNC3=C2C1=CC=C3 |
MNX internals
InChI (mnx) | InChI=1/C16H18N2O2/c1-9(2)6-13-11-4-3-5-12-15(11)10(8-17-12)7-14(18-13)16(19)20/h3-6,8,13-14,17-18H,7H2,1-2H3,(H,19,20)/t13-,14+/m1/s1 |
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SMILES (mnx) | [CH3:1][C:9]([CH3:2])=[CH:6][C@@H:13]1[C:11]2=[C:15]3[C:10](=[CH:8][NH:17][C:12]3=[CH:5][CH:3]=[CH:4]2)[CH2:7][C@@H:14]([C:16](=[O:19])[OH:20])[NH:18]1 |
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