Basic information
- Standard SMILES
CCOC(=O)/C=C/c1cc(C(C)C)c2[nH]c3c(c2c1)CCOC3(CC)CCO- InChIKey
WBEFFFRYSCKAMZ-BQYQJAHWSA-N- Molecular formula
- C23H31NO4
- Average molar mass
- 385.5 g/mol
Names & identifiers
- Preferred name
- (E)-ethyl 3-(1-Ethyl-1,3,4,9-tetrahydro-1-(2-hydroxyethyl)-8-isopropylpyrano[3,4-b]indol-6-yl)acrylate
- IUPAC
- ethyl (E)-3-[1-ethyl-1-(2-hydroxyethyl)-8-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-6-yl]prop-2-enoate
Names & synonyms
SCHEMBL14279293WBEFFFRYSCKAMZ-BQYQJAHWSA-N(E)-ethyl 3-(1-Ethyl-1,3,4,9-tetrahydro-1-(2-hydroxyethyl)-8-isopropylpyrano[3,4-b]indol-6-yl)acrylate
Database identifiers
- PubChem CID
- 59639720
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 563
Related reactions
4 records
Compound notes
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