Basic information
- Standard SMILES
COC(=O)C1=CCCN(CCC2COc3ccccc3C2)C1- InChIKey
SIMTZRNMNNCGRJ-UHFFFAOYSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Names & identifiers
- Preferred name
- 1-[2-(Chroman-3-yl)ethyl]-1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester
- IUPAC
- methyl 1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
Names & synonyms
SCHEMBL9692507SIMTZRNMNNCGRJ-UHFFFAOYSA-N1-[2-(chroman-3-yl)ethyl]-1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 14838416
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Related reactions
4 records
Compound notes
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