2-Ethoxy-N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)ethanimidic acid

HCID 337012

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Basic information

CAS: 86436-35-3
Standard SMILES: CCOCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21
InChIKey: RSTAAABJXUCDEQ-KRWDZBQOSA-N
Molecular formula: C24H29NO7
Average molar mass: 443.5 g/mol
Monoisotopic mass: 443.19440226

Names & identifiers

Preferred name: 2-Ethoxy-N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)ethanimidic acid
IUPAC: 2-ethoxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Names & synonyms

NSC353494CHEMBL30254DTXSID701006844NSC-353494NCI60_0031722-Ethoxy-N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)ethanimidic acidEthoxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]ethanimidic acid

Database identifiers

CAS: 86436-35-3
PubChem CID: 337012
DTXSID: DTXSID701006844
ChEMBL: CHEMBL30254
Nikkaji: J74.882J

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 92.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 787

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