Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Oc2ccc3c(c2)C=C(C(=O)O)CCC3)CC1- InChIKey
LNOMOPPPQCDJJU-UHFFFAOYSA-N- Molecular formula
- C22H29NO5
- Average molar mass
- 387.5 g/mol
Names & identifiers
- Preferred name
- 2-[(1-tert-butoxycarbonylpiperidin-4-yl)oxy]-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acid
- IUPAC
- 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid
Names & synonyms
SCHEMBL7221415LNOMOPPPQCDJJU-UHFFFAOYSA-N2-[(1-tert-butoxycarbonylpiperidin-4-yl)oxy]-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acid
Database identifiers
- PubChem CID
- 22989935
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 601
Related reactions
2 records
Compound notes
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