ethyl N-methyl-N-[2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-isochromen-3-yl)-1,3-benzodioxol-5-yl]ethyl]carbamate
Basic information
- CAS
62421-42-5- Standard SMILES
CCOC(=O)N(C)CCc1cc2c(cc1C1Cc3ccc(OC)c(OC)c3C(OC)O1)OCO2- InChIKey
BZDWDIKHABIERS-UHFFFAOYSA-N- Molecular formula
- C25H31NO8
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.20496695
Names & identifiers
- Preferred name
- ethyl N-methyl-N-[2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-isochromen-3-yl)-1,3-benzodioxol-5-yl]ethyl]carbamate
- IUPAC
- ethyl N-methyl-N-[2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-isochromen-3-yl)-1,3-benzodioxol-5-yl]ethyl]carbamate
Names & synonyms
62421-42-5NSC279536ethyl N-methyl-N-[2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-isochromen-3-yl)-1,3-benzodioxol-5-yl]ethyl]carbamateDTXSID30314001NSC-279536DS-002462Ethyl methyl{2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-2-benzopyran-3-yl)-2H-1,3-benzodioxol-5-yl]ethyl}carbamateEthyl n-methyl-n-[2-[6-(1,7,8-trimethoxyisochroman-3-yl)benzo[1,3]dioxol-5-yl]ethyl]carbamate
Database identifiers
- CAS
62421-42-5- PubChem CID
- 322376
- DTXSID
DTXSID30314001
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 665
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Compound notes
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