5H-Benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylic acid, 10,11-dihydro-5-hydroxy-, 2-(dimethylamino)ethyl ester

HCID 36690

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Basic information

CAS: 34144-31-5
Standard SMILES: CN(C)CCOC(=O)C1(O)c2ccccc2CCc2ncccc21
InChIKey: TYJPWISBRRQRBC-UHFFFAOYSA-N
Molecular formula: C19H22N2O3
Average molar mass: 326.4 g/mol
Monoisotopic mass: 326.16304257

Names & identifiers

Preferred name: 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylic acid, 10,11-dihydro-5-hydroxy-, 2-(dimethylamino)ethyl ester
IUPAC: 2-(dimethylamino)ethyl 2-hydroxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate

Names & synonyms

BRN 044353934144-31-55H-Benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylic acid, 10,11-dihydro-5-hydroxy-, 2-(dimethylamino)ethyl esterRefChem:3053062-(Dimethylamino)ethyl 5-hydroxy-10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-5-carboxylateDTXSID40955681AM-814/41093180

Database identifiers

CAS: 34144-31-5
PubChem CID: 36690
DTXSID: DTXSID40955681

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 62.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 442

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