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Basic information
- Standard SMILES
CCOC(=O)CC1(CC)OCCc2c1[nH]c1c(C(C)C)cc(Br)cc21- InChIKey
LMRSXZMPMYMAPX-UHFFFAOYSA-N- Molecular formula
- C20H26BrNO3
- Average molar mass
- 408.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(6-bromo-1-ethyl-1,3,4,9-tetrahydro-8-isopropylpyrano[3,4-b]indol-1-yl)acetate
- IUPAC
- ethyl 2-(6-bromo-1-ethyl-8-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
Names & synonyms
SCHEMBL4802265LMRSXZMPMYMAPX-UHFFFAOYSA-Nethyl 2-(6-bromo-1'-ethyl-1,3,4,9-tetrahydro-8-isopropylpyrano[3,4-b]indol-1-yl)acetateethyl 2-(6-bromo-1-ethyl-1,3,4,9-tetrahydro-8-isopropylpyrano[3,4-b]indol-1-yl)acetate
Database identifiers
- PubChem CID
- 59639731
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Related reactions
3 records
Compound notes
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