Basic information
- CAS
50823-57-9- Standard SMILES
COC(=O)NC1CCCc2cc(OC)c(OC)c(OC)c2C1- InChIKey
BNPWEZZZLIFSAA-UHFFFAOYSA-N- Molecular formula
- C16H23NO5
- Average molar mass
- 309.36 g/mol
- Monoisotopic mass
- 309.15762283
Names & identifiers
- Preferred name
- Carbamic acid, (2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl)-, methyl ester
- IUPAC
- methyl N-(2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)carbamate
- English name
- 6,7,8,9-Tetrahydro-6-methoxycarbonylamino-2,3,4-trimethoxy-5H-benzocycloheptene
- Molecular formula
- C16H23NO5
- Molecular weight
- 309.36
Names & synonyms
BRN 276920750823-57-9(2,3,4-Trimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl)carbamic acid methyl ester6-(N-Carbomethoxy)amino-2,3,4-trimethoxybenzocycloheptaneCarbamic acid, (2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl)-, methyl esterRefChem:331815DTXSID20965061Methyl hydrogen (2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)carbonimidate6,7,8,9-Tetrahydro-6-methoxycarbonylamino-2,3,4-trimethoxy-5H-benzocyclohepteneCarbamic acid, (6,7,8,9-tetrahydro-2,3,4-trimethoxy-5H-benzocyclohepten-6-yl)-, methyl ester (9CI)
Database identifiers
- CAS
50823-57-9- PubChem CID
- 39807
- DTXSID
DTXSID20965061- Nikkaji
- J69.276J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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