946
Summary
Name: | 4-[(1~{R})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol |
Synonyms: | (1-(3,4-dihydroxyphenyl)-2-((naphthalen-1-ylmethyl)amino)ethan-1-one |
Formula: | C19 H19 N O3 |
Formal charge: | 0 |
Formula weight: | 309.359 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 4-[(1~{R})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H19NO3/c21-17-8-7-16(10-18(17)22)19(23)12-20-11-13-5-6-14-3-1-2-4-15(14)9-13/h1-10,19-23H,11-12H2/t19-/m0/s1 |
InChIKey | InChI | 1.03 | KSDGEFPHPRYPCZ-IBGZPJMESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CNCc1ccc2ccccc2c1)c3ccc(O)c(O)c3 |
SMILES | CACTVS | 3.385 | O[CH](CNCc1ccc2ccccc2c1)c3ccc(O)c(O)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2cc(ccc2c1)CNC[C@@H](c3ccc(c(c3)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2cc(ccc2c1)CNCC(c3ccc(c(c3)O)O)O |