|
L1R : Summary
Code
|
L1R
|
One-letter code
|
X
|
Molecule name
|
4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE
|
Systematic names
|
|
Formula
|
C18 H20 Cl2 N2 O3
|
Formal charge
|
0
|
Molecular weight
|
383.269 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
Clc1cc(cc(Cl)c1OCCN)C(=O)Nc2cccc(OC(C)C)c2 |
SMILES
|
CACTVS |
3.341 |
CC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCCN)c(Cl)c2)c1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCCN)Cl |
Canonical SMILES
|
CACTVS |
3.341 |
CC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCCN)c(Cl)c2)c1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCCN)Cl |
|
IUPAC InChI | InChI=1S/C18H20Cl2N2O3/c1-11(2)25-14-5-3-4-13(10-14)22-18(23)12-8-15(19)17(16(20)9-12)24-7-6-21/h3-5,8-11H,6-7,21H2,1-2H3,(H,22,23) |
IUPAC InChI key | AYKUIRSGEMLIFT-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
45 (25 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
non-polymer
|
Type code
|
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2007-12-05
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|