Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester

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Basic information

CAS: 94916-96-8
Standard SMILES: CN(C)CCOC(=O)C(OCCC#N)(c1ccccc1)c1ccccc1
InChIKey: CMLBQOVLDTVUPX-UHFFFAOYSA-N
Molecular formula: C21H24N2O3
Average molar mass: 352.4 g/mol
Monoisotopic mass: 352.17869263

Names & identifiers

Preferred name: Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester
IUPAC: 2-(dimethylamino)ethyl 2-(2-cyanoethoxy)-2,2-diphenylacetate

Names & synonyms

94916-96-8ACETIC ACID, (2-CYANOETHOXY)DIPHENYL-, 2-(DIMETHYLAMINO)ETHYL ESTER(2-Cyanoethoxy)diphenylacetic acid 2-(dimethylamino)ethyl esterDTXSID50241688RefChem:316156DTXCID801641792-(Dimethylamino)ethyl (2-cyanoethoxy)di(phenyl)acetate

Database identifiers

CAS: 94916-96-8
PubChem CID: 56832
DTXSID: DTXSID50241688

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 62.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 26
Formal charge: 0
Complexity: 453

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