3-Azabicyclo(3.3.1)nonane-3-carboxylic acid, 9-methoxy-9-(3-methoxyphenyl)-, ethyl ester, syn-

HCID 40575

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Basic information

CAS: 52904-53-7
Standard SMILES: CCOC(=O)N1CC2CCCC(C1)C2(OC)c1cccc(OC)c1
InChIKey: VXYKVXYMAISAET-UHFFFAOYSA-N
Molecular formula: C19H27NO4
Average molar mass: 333.4 g/mol
Monoisotopic mass: 333.19400834

Names & identifiers

Preferred name: 3-Azabicyclo(3.3.1)nonane-3-carboxylic acid, 9-methoxy-9-(3-methoxyphenyl)-, ethyl ester, syn-
IUPAC: ethyl 9-methoxy-9-(3-methoxyphenyl)-3-azabicyclo[3.3.1]nonane-3-carboxylate

Names & synonyms

52904-53-73-Azabicyclo(3.3.1)nonane-3-carboxylic acid, 9-methoxy-9-(3-methoxyphenyl)-, ethyl ester, syn-syn-9-Methoxy-9-(3-methoxyphenyl)-3-azabicyclo(3.3.1)nonane-3-carboxylic acid ethyl esterRefChem:276781ethyl 9-methoxy-9-(3-methoxyphenyl)-3-azabicyclo[3.3.1]nonane-3-carboxylateDTXSID70967378

Database identifiers

CAS: 52904-53-7
PubChem CID: 40575
DTXSID: DTXSID70967378

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 48 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 427

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