(+/-)-trans-6-Ethyl-2-ethoxycarbonyl-3-methyl-8a-(3-methoxyphenyl)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline

HCID 22883674
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Basic information

Standard SMILES
CCOC(=O)c1[nH]c2c(c1C)C[C@@H]1CN(CC)CC[C@@]1(c1cccc(OC)c1)C2
InChIKey
WLKXUCAGBVYNRV-KOSHJBKYSA-N
Molecular formula
C24H32N2O3
Average molar mass
396.5 g/mol

Names & identifiers

Preferred name
(+/-)-trans-6-Ethyl-2-ethoxycarbonyl-3-methyl-8a-(3-methoxyphenyl)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline
IUPAC
ethyl (4aS,8aR)-6-ethyl-8a-(3-methoxyphenyl)-3-methyl-4,4a,5,7,8,9-hexahydro-1H-pyrrolo[2,3-g]isoquinoline-2-carboxylate

Names & synonyms

SCHEMBL7482540WLKXUCAGBVYNRV-KOSHJBKYSA-N(+/-)-trans-6-Ethyl-2-ethoxycarbonyl-3-methyl-8a-(3-methoxyphenyl)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline

Database identifiers

PubChem CID
22883674

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
54.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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