Ethyl 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate

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Basic information

CAS: 88354-19-2
Standard SMILES: CCOC(=O)C1CC(=O)c2cc(OC)c(OC)cc2C1c1ccc(OC)c(OC)c1
InChIKey: XABVMSFWLYYRGD-UHFFFAOYSA-N
Molecular formula: C23H26O7
Average molar mass: 414.4 g/mol
Monoisotopic mass: 414.16785316

Names & identifiers

Preferred name: Ethyl 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
IUPAC: ethyl 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate

Names & synonyms

88354-19-2NSC113055ethyl 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylateDTXSID70297001NSC-1130552-Naphthalenecarboxylicacid, 1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-4-oxo-, ethylesterDS-013479

Database identifiers

CAS: 88354-19-2
PubChem CID: 270571
DTXSID: DTXSID70297001

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 594

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Compound notes

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