Ethyl 5-[3-(3,4-dihydro-2(1H)-isoquinolinyl)-2-hydroxypropoxy]-2-phenyl-3-benzofurancarboxylate

HCID 4458328

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Basic information

CAS: 1009595-20-3
Standard SMILES: CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(O)CN3CCc4ccccc4C3)cc12
InChIKey: HOQVVHLHPRTPHY-UHFFFAOYSA-N
Molecular formula: C29H29NO5
Average molar mass: 471.5 g/mol
Monoisotopic mass: 471.20457303

Names & identifiers

Preferred name: Ethyl 5-[3-(3,4-dihydro-2(1H)-isoquinolinyl)-2-hydroxypropoxy]-2-phenyl-3-benzofurancarboxylate
IUPAC: ethyl 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]-2-phenyl-1-benzofuran-3-carboxylate

Names & synonyms

DTXSID4011176241009595-20-3Ethyl 5-[3-(3,4-dihydro-2(1H)-isoquinolinyl)-2-hydroxypropoxy]-2-phenyl-3-benzofurancarboxylateEthyl 5-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropoxy]-2-phenyl-1-benzofuran-3-carboxylate

Database identifiers

CAS: 1009595-20-3
PubChem CID: 4458328
DTXSID: DTXSID401117624

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 35
Formal charge: 0
Complexity: 682

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