Basic information
- Standard SMILES
COC(=O)C1=CCCN(CC2COc3ccccc3C2)C1- InChIKey
CTYQVQAXLJGFRH-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
Names & identifiers
- Preferred name
- 1-(Chroman-3-ylmethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester
- IUPAC
- methyl 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
Names & synonyms
SCHEMBL9692793CTYQVQAXLJGFRH-UHFFFAOYSA-N1-(chroman-3-ylmethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 14838403
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Related reactions
3 records
Compound notes
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