3-(5-{2-[6-(tert-Butoxycarbonyl-methyl-amino)-pyridin-2-yl]-ethoxy}-indol-1-yl)-3-phenyl-acrylic acid ethyl ester

HCID 66819643

Basic information

Standard SMILES
CCOC(=O)C=C(c1ccccc1)n1ccc2cc(OCCc3cccc(N(C)C(=O)OC(C)(C)C)n3)ccc21
InChIKey
PMPHYADQRGIQDQ-UHFFFAOYSA-N
Molecular formula
C32H35N3O5
Average molar mass
541.6 g/mol

Names & identifiers

Preferred name
3-(5-{2-[6-(tert-Butoxycarbonyl-methyl-amino)-pyridin-2-yl]-ethoxy}-indol-1-yl)-3-phenyl-acrylic acid ethyl ester
IUPAC
ethyl 3-[5-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylprop-2-enoate

Names & synonyms

SCHEMBL854074PMPHYADQRGIQDQ-UHFFFAOYSA-N3-(5-{2-[6-(tert-Butoxycarbonyl-methyl-amino)-pyridin-2-yl]-ethoxy}-indol-1-yl)-3-phenyl-acrylic acid ethyl ester

Database identifiers

PubChem CID
66819643

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
82.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
40

Related reactions

3 records

Compound notes

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