QIU
Summary
Name: | 3-[3-(2-acetamidoethyl)phenyl]benzoic acid |
Formula: | C17 H17 N O3 |
Formal charge: | 0 |
Formula weight: | 283.322 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 3-[3-(2-acetamidoethyl)phenyl]benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H17NO3/c1-12(19)18-9-8-13-4-2-5-14(10-13)15-6-3-7-16(11-15)17(20)21/h2-7,10-11H,8-9H2,1H3,(H,18,19)(H,20,21) |
InChIKey | InChI | 1.03 | VSVONDXWDQOLJS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCc1cccc(c1)c2cccc(c2)C(O)=O |
SMILES | CACTVS | 3.385 | CC(=O)NCCc1cccc(c1)c2cccc(c2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O |