| SpectraBase Spectrum ID |
LPduRsPEGSe |
| Name |
Ethyl anti-4-(4-chlorophenylamino)-1-(4-chlorophenyl)-2,6-bis(4-cyanophenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
592.143281491 u |
| Formula |
C34H26Cl2N4O2 |
| InChI |
InChI=1S/C34H26Cl2N4O2/c1-2-42-34(41)32-30(39-28-15-11-26(35)12-16-28)19-31(24-7-3-22(20-37)4-8-24)40(29-17-13-27(36)14-18-29)33(32)25-9-5-23(21-38)6-10-25/h3-18,31,33,39H,2,19H2,1H3/t31-,33+/m0/s1 |
| InChIKey |
LOGZLJJYVSMNJS-CQTOTRCISA-N |
| Molecular Weight |
593.514 g/mol |
| SMILES |
C1[C@@](C=2C=CC(=CC2)C#N)(N([C@@](C(=C1NC1=CC=C(C=C1)Cl)C(OCC)=O)(C1=CC=C(C=C1)C#N)[H])C1=CC=C(C=C1)Cl)[H] |
