| Properties | Image |
| MNX_ID | MNXM171695 |
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| reference | chebi:98655 |
| formula | C21H23N3O3 |
| global charge | 0 |
| mol weight | 365.433 |
| InChIKey | WRJPWVKEXURTAG-FEHORTKBSA-N |
| InChI | InChI=1S/C21H23N3O3/c25-11-16-15-10-24-17(6-3-7-18(24)26)19(15)23-20(16)21(27)22-14-8-12-4-1-2-5-13(12)9-14/h1-7,14-16,19-20,23,25H,8-11H2,(H,22,27)/t15-,16-,19+,20-/m0/s1 |
| SMILES | O=C(NC1CC2=CC=CC=C2C1)[C@H]1N[C@H]2C3=CC=CC(=O)N3C[C@H]2[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C21H23N3O3/c25-11-16-15-10-24-17(6-3-7-18(24)26)19(15)23-20(16)21(27)22-14-8-12-4-1-2-5-13(12)9-14/h1-7,14-16,19-20,23,25H,8-11H2,(H,22,27)/t15-,16-,19+,20-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:13]2[CH2:9][CH:14]([N:22]=[C:21]([C@@H:20]3[C@@H:16]([CH2:11][OH:25])[C@@H:15]4[CH2:10][N:24]5[C:17](=[CH:6][CH:3]=[CH:7][C:18]5=[O:26])[C@@H:19]4[NH:23]3)[OH:27])[CH2:8][C:12]2=[CH:4]1 |
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