主记录
ILPIYLXAQVWGLA-UHFFFAOYSA-N
- CAS
- 497224-06-3
- PubChem CID
- 11495447
- SMILES
- COC1=CC=C(C=C1)CN(CCCCC(=O)O)C2=C(C=C(C=C2)Br)C=O
- 分子式
- C20H22BrNO4
- 分子量
- 420.303
- 精确分子量
- 419.0732
- InChI
- InChI=1S/C20H22BrNO4/c1-26-18-8-5-15(6-9-18)13-22(11-3-2-4-20(24)25)19-10-7-17(21)12-16(19)14-23/h5-10,12,14H,2-4,11,13H2,1H3,(H,24,25)
- InChIKey
- ILPIYLXAQVWGLA-UHFFFAOYSA-N
- LogP
- 4.5317
- TPSA
- 66.84
名称与别名
- SCHEMBL3458892
- ILPIYLXAQVWGLA-UHFFFAOYSA-N
- CID11495447
- 5-((4-bromo-2-formylphenyl)(4-methoxybenzyl)amino)pentanoic acid
- 497224-06-3
- 5-[(4-bromo-2-formylphenyl)[(4-methoxyphenyl)methyl]amino]pentanoic acid
- 5-[(4-bromo-2-formyl-phenyl)-[(4-methoxyphenyl)methyl]amino]pentanoic Acid