benzyl 3-(7-bromo-3-methyl-1H-indol-6-ylmethoxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

HCID 68499829

Basic information

Standard SMILES
COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2OCc2ccc3c(C)c[nH]c3c2Br)cc1
InChIKey
WMQWSCDOHOJNJG-UHFFFAOYSA-N
Molecular formula
C40H43BrN2O6
Average molar mass
727.7 g/mol

Names & identifiers

Preferred name
benzyl 3-(7-bromo-3-methyl-1H-indol-6-ylmethoxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
IUPAC
benzyl 3-[(7-bromo-3-methyl-1H-indol-6-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL3067311WMQWSCDOHOJNJG-UHFFFAOYSA-Nbenzyl 3-(7-bromo-3-methyl-1H-indol-6-ylmethoxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

Database identifiers

PubChem CID
68499829

Properties

Computed structural properties

XLogP
7.7
Topological polar surface area
82.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
15
Heavy atoms
49

Related reactions

8 records

Linked notes

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