(-)-5,6-Dimethoxy-2-[2,2,4,6,7-pentamethyl-3-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-5-yl]isoindoline hydrochloride

HCID 21961328

Notes Reactions

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Basic information

Standard SMILES: CCc1ccc(C2c3c(C)c(N4Cc5cc(OC)c(OC)cc5C4)c(C)c(C)c3OC2(C)C)cc1.Cl
InChIKey: JTNBGAVHWJSJOV-UHFFFAOYSA-N
Molecular formula: C31H38ClNO3
Average molar mass: 508.1 g/mol
Monoisotopic mass: 507.2540218

Names & identifiers

Preferred name: (-)-5,6-Dimethoxy-2-[2,2,4,6,7-pentamethyl-3-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-5-yl]isoindoline hydrochloride
IUPAC: 2-[3-(4-ethylphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl]-5,6-dimethoxy-1,3-dihydroisoindole;hydrochloride

Names & synonyms

SCHEMBL4821106JTNBGAVHWJSJOV-UHFFFAOYSA-N(-)-5,6-Dimethoxy-2-[2,2,4,6,7-pentamethyl-3-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-5-yl]isoindoline hydrochloride

Database identifiers

PubChem CID: 21961328

Properties

Computed structural properties

Topological polar surface area: 30.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 36
Formal charge: 0
Complexity: 698

Related reactions

3 records

New reaction record

HRID 272340As productuspto-grants-2008_11

HRID 1017850As productuspto-grants-2002_11

HRID 2211731As productuspto-grants-2006_09

Compound notes

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