Ethyl 6-tert-butyl-3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
Basic information
- CAS
41958-51-4- Standard SMILES
CCOC(=O)N1Cc2ccc(C(C)(C)C)cc2C(c2ccccc2)C1C- InChIKey
ZPCHXUDRSPXTMC-UHFFFAOYSA-N- Molecular formula
- C23H29NO2
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.21982917
Names & identifiers
- Preferred name
- Ethyl 6-tert-butyl-3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
- IUPAC
- ethyl 6-tert-butyl-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
41958-51-4DTXSID50962104Ethyl 6-tert-butyl-3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylateRefChem:1085003DTXCID701389917trans-Ethyl 6-tert-butyl-3-methyl-4-phenyl-3,4-dihydro-2(1H)-isoquinolinecarboxylateBRN 15976702(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-tert-butyl-3-methyl-4-phenyl-, ethyl ester, (E)-
Database identifiers
- CAS
41958-51-4- PubChem CID
- 39051
- DTXSID
DTXSID50962104
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 477
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Compound notes
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