ethyl (2E)-3-(6-{(tert-butoxycarbonyl)[(3R)-1-(3,4-dimethylbenzyl)-3-pyrrolidinyl]amino}-3-pyridinyl)acrylate

HCID 86603719
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Basic information

Standard SMILES
CCOC(=O)/C=C/c1ccc(N(C(=O)OC(C)(C)C)[C@@H]2CCN(Cc3ccc(C)c(C)c3)C2)nc1
InChIKey
CMHUYBNYJSVCJB-CYNGKWMKSA-N
Molecular formula
C28H37N3O4
Average molar mass
479.6 g/mol

Names & identifiers

Preferred name
ethyl (2E)-3-(6-{(tert-butoxycarbonyl)[(3R)-1-(3,4-dimethylbenzyl)-3-pyrrolidinyl]amino}-3-pyridinyl)acrylate
IUPAC
ethyl (E)-3-[6-[[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]prop-2-enoate

Names & synonyms

CMHUYBNYJSVCJB-CYNGKWMKSA-Nethyl (2E)-3-(6-{(tert-butoxycarbonyl)[(3R)-1-(3,4-dimethylbenzyl)-3-pyrrolidinyl]amino}-3-pyridinyl)acrylate

Database identifiers

PubChem CID
86603719

Properties

Computed structural properties

XLogP
5
Topological polar surface area
72 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
35

Related reactions

2 records
New reaction record

Linked notes

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