Basic information
- CAS
7146-72-7- Standard SMILES
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(NC(=O)CCC(=O)O)cc2)CC1- InChIKey
IECLKPPZCDIHQN-UHFFFAOYSA-N- Molecular formula
- C26H32N2O5
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.23112213
Names & identifiers
- Preferred name
- 4-[4-[2-(4-Ethoxycarbonyl-4-phenylpiperidin-1-yl)ethyl]anilino]-4-oxobutanoic acid
- IUPAC
- 4-[4-[2-(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)ethyl]anilino]-4-oxobutanoic acid
- English name
- 3-[[4-[2-(4-ethoxycarbonyl-4-phenyl-1-piperidyl)ethyl]phenyl]carbamoyl ]propanoic acid
- Molecular formula
- C26H32N2O5
- Molecular weight
- 0
Names & synonyms
7146-72-7MLS002638962NSC23841CHEMBL1869038DTXSID90919490HMS3085I13NSC-2384191840-16-3SMR0015484224-(4-{2-[4-(Ethoxycarbonyl)-4-phenylpiperidin-1-yl]ethyl}anilino)-4-oxobutanoic acid3-[[4-[2-(4-ethoxycarbonyl-4-phenyl-1-piperidyl)ethyl]phenyl]carbamoyl ]propanoic acid
Database identifiers
- CAS
7146-72-7、91840-16-3- PubChem CID
- 229837
- DTXSID
DTXSID90919490- ChEMBL
CHEMBL1869038
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 645
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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