Primary record
CID11567872
- CAS
- 497224-08-5
- PubChem CID
- 11567872
- SMILES
- COC1=CC=C(C=C1)CN2CCC/C(=C\C3=C2C=CC(=C3)Br)/C(=O)OC
- Molecular Formula
- C21H22BrNO3
- Molecular Weight
- 416.315
- Exact Mass
- 415.0783
- InChI
- InChI=1S/C21H22BrNO3/c1-25-19-8-5-15(6-9-19)14-23-11-3-4-16(21(24)26-2)12-17-13-18(22)7-10-20(17)23/h5-10,12-13H,3-4,11,14H2,1-2H3/b16-12+
- InChIKey
- RVZMFFYMYXKINR-FOWTUZBSSA-N
- LogP
- 4.8145
- TPSA
- 38.77
Names and synonyms
- SCHEMBL3469058
- CID11567872
- CID 11567872
- CS-0093636
- 497224-08-5
- Methyl 8-bromo-1-(4-methoxybenzyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylate
- methyl 8-bromo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazocine-5-carboxylate
- Methyl 8-bromo-1-(4-methoxybenzyl)-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxylate