| SpectraBase Spectrum ID |
9Fkk88P1Z4Z |
| Name |
N-(Adamantan-1-ylcarbonyl)-4-(4-chlorphenyl)-3-morpholinopyrrol-2-carboxylic acid, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.197235182 u |
| Formula |
C27H31ClN2O4 |
| InChI |
InChI=1S/C27H31ClN2O4/c1-33-25(31)24-23(29-6-8-34-9-7-29)22(20-2-4-21(28)5-3-20)16-30(24)26(32)27-13-17-10-18(14-27)12-19(11-17)15-27/h2-5,16-19H,6-15H2,1H3/t17-,18+,19-,27- |
| InChIKey |
GCVHPIHYBVYCJD-VGVMWRDJSA-N |
| Molecular Weight |
483.008 g/mol |
| SMILES |
C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])C(=O)N1C(C(=O)OC)=C(N2CCOCC2)C(C2=CC=C(Cl)C=C2)=C1 |
