SNP
Summary
Name: | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL |
Synonyms: | S-PROPRANOLOL |
Formula: | C16 H21 N O2 |
Formal charge: | 0 |
Formula weight: | 259.343 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2S)-1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol |
OpenEye OEToolkits | 1.5.0 | (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC(CNC(C)C)COc2cccc1ccccc12 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)NC[C@H](O)COc1cccc2ccccc12 |
SMILES | CACTVS | 3.341 | CC(C)NC[CH](O)COc1cccc2ccccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)NC[C@@H](COc1cccc2c1cccc2)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)NCC(COc1cccc2c1cccc2)O |
InChI | InChI | 1.03 | InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1 |
InChIKey | InChI | 1.03 | AQHHHDLHHXJYJD-AWEZNQCLSA-N |