| Stereochemistry | RACEMIC |
| Molecular Formula | C20H29N3.C4H4O4 |
| Molecular Weight | 427.5365 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CCN1CCN(C(C)C)[C@@H]2CCN3C4=CC=CC=C4C(C)=C3[C@@H]12
InChI
InChIKey=MPSLGGPOYBRWKD-ZKUJQEIMSA-N
InChI=1S/C20H29N3.C4H4O4/c1-5-21-12-13-22(14(2)3)18-10-11-23-17-9-7-6-8-16(17)15(4)19(23)20(18)21;5-3(6)1-2-4(7)8/h6-9,14,18,20H,5,10-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t18-,20+;/m1./s1
| Molecular Formula | C20H29N3 |
| Molecular Weight | 311.4644 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
