|
CTX : Summary
Code
|
CTX
|
One-letter code
|
X
|
Molecule name
|
(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE
|
Systematic names
|
|
Formula
|
C26 H29 N O
|
Formal charge
|
0
|
Molecular weight
|
371.515 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O(c1ccc(cc1)/C(c2ccccc2)=C(\c3ccccc3)CC)CCN(C)C |
SMILES
|
CACTVS |
3.341 |
CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCCN(C)C)cc3 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3 |
Canonical SMILES
|
CACTVS |
3.341 |
CC/C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCCN(C)C)cc3 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 |
|
IUPAC InChI | InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- |
IUPAC InChI key | NKANXQFJJICGDU-QPLCGJKRSA-N |
|
wwPDB Information |
Atom count
|
57 (28 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2005-01-14
|
Last modified at
|
2021-03-01
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|