Basic information
- CAS
128073-42-7- Standard SMILES
CCOC(=O)C1CC2CC(=O)CCC2CN1C(=O)OC- InChIKey
HAEQCUWBOVQMOJ-UHFFFAOYSA-N- Molecular formula
- C14H21NO5
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.14197277
Names & identifiers
- Preferred name
- 3-Ethyl 2-Methyl 6-oxooctahydroisoquinoline-2,3(1H)-dicarboxylate
- IUPAC
- 3-O-ethyl 2-O-methyl 6-oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2,3-dicarboxylate
- English name
- 3-Ethyl 2-Methyl 6-oxooctahydroisoquinoline-2,3(1H)-dicarboxylate
- Molecular formula
- C14H21NO5
- Molecular weight
- 283.32
Names & synonyms
3-Ethyl 2-Methyl 6-oxooctahydroisoquinoline-2,3(1H)-dicarboxylate128073-42-73-O-ethyl 2-O-methyl 6-oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2,3-dicarboxylateSCHEMBL3302863HAEQCUWBOVQMOJ-UHFFFAOYSA-NDTXSID301164591MFCD11505033SBB053998AKOS025116805PB22501DA-23657SY456638
Show more names
3-ethyl 2-methyl 6-oxo-decahydroisoquinoline-2,3-dicarboxylate3-ethyl 2-methyl (3S)-6-oxooctahydroisoquinoline-2,3(1H)-dicarboxylate2,3(1H)-Isoquinolinedicarboxylic acid, octahydro-6-oxo-, 3-ethyl 2-methyl ester
CS-0444178P11131ethyl-2-methoxycarbonyl-6-oxodecahydroisoquinoline-3-carboxylate3-Ethyl 2-methyl octahydro-6-oxo-2,3(1H)-isoquinolinedicarboxylate3-Ethyl2-Methyl6-oxooctahydroisoquinoline-2,3(1H)-dicarboxylateethyl 6-oxo-2-(methoxycarbonyl)-decahydroisoquinoline-3-carboxylateEthyl 6-oxo-2-methoxycarbonyl-decahydroisoquinoline-3-carboxylateethyl decahydro-6-oxo-2-methoxycarbonyl-3-isoquinolinecarboxylate
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 408
Chemistry & industry
Suppliers7 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海锦升医药科技有限公司1365-13651960330 13651960330 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
上海智乾生物科技有限公司[email protected]
Shanghai jinsheng pharma tech co.,ltd13585563093 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
14 records
Compound notes
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