| Properties | Image |
|---|
| MNX_ID | MNXM149811 |
 |
| reference | chebi:87693 |
| formula | C24H33N3O4 |
| global charge | 0 |
| mol weight | 427.545 |
| InChIKey | XKLMZUWKNUAPSZ-FQEVSTJZSA-N |
| InChI | InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/t20-/m0/s1 |
| SMILES | COC1=C(OC[C@@H](O)CN2CCN(CC(=O)NC3=C(C)C=CC=C3C)CC2)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/t20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]1=[C:24]([N:25]=[C:23]([CH2:16][N:27]2[CH2:13][CH2:11][N:26]([CH2:15][C@@H:20]([CH2:17][O:31][C:22]3=[CH:10][CH:5]=[CH:4][CH:9]=[C:21]3[O:30][CH3:3])[OH:28])[CH2:12][CH2:14]2)[OH:29])[C:19]([CH3:2])=[CH:8][CH:6]=[CH:7]1 |
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