Basic information
- CAS
41958-57-0- Standard SMILES
CCOC(=O)N1Cc2ccccc2C(c2ccccc2)C1C- InChIKey
LBDNFNIZWIELCP-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Names & identifiers
- Preferred name
- Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
- IUPAC
- ethyl 3-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
DTXSID30962107Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylateRefChem:1084868DTXCID401389920trans-Ethyl 3-methyl-4-phenyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate41958-57-0BRN 13896802(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-3-methyl-4-phenyl-, ethyl ester, (E)-5-20-08-00151 (Beilstein Handbook Reference)
Database identifiers
- CAS
41958-57-0- PubChem CID
- 39056
- DTXSID
DTXSID30962107
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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