Basic information
- Standard SMILES
CCOC(=O)Cc1ccc(-c2ccc3c(c2)[C@H](NC(=O)OC(C)C)C[C@H](C)N3C(C)=O)cc1- InChIKey
ZVIVYHZFMIRJNN-GAJHUEQPSA-N- Molecular formula
- C26H32N2O5
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.23112213
Names & identifiers
- Preferred name
- ethyl 2-(4-((2S,4R)-1-acetyl-4-((isopropoxycarbonyl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)phenyl)acetate
- IUPAC
- ethyl 2-[4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-yloxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetate
Names & synonyms
SCHEMBL11980257ZVIVYHZFMIRJNN-GAJHUEQPSA-Nethyl {4-[(2S,4R)-1-acetyl-2-methyl-4-({[(1-methylethyl)oxy]carbonyl}amino)-1,2,3,4-tetrahydro-6-quinolinyl]phenyl}acetateethyl 2-(4-((2S,4R)-1-acetyl-4-((isopropoxycarbonyl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)phenyl)acetate
Database identifiers
- PubChem CID
- 68185396
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 688
Related reactions
8 records
Compound notes
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