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

HCID 22883675
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Basic information

Standard SMILES
CCOC(=O)c1[nH]c2c(c1C)C[C@@H]1CN(CC)CC[C@@]1(c1cccc(O)c1)C2
InChIKey
SUMSQYOQRLTSCA-HXOBKFHXSA-N
Molecular formula
C23H30N2O3
Average molar mass
382.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL7488768SUMSQYOQRLTSCA-HXOBKFHXSA-N(+/-)-trans-6-Ethyl-2-ethoxycarbonyl-8a-(3-hydroxyphenyl)-3-methyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline

Database identifiers

PubChem CID
22883675

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
65.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
28

Related reactions

1 records
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Linked notes

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