(3-{4-Bromo-2-[((1R,2S)-2-hydroxy-indan-1-ylamino)-methyl]-phenoxy}-4-methoxy-phenyl)-acetic acid ethyl ester

HCID 58237487
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Basic information

Standard SMILES
CCOC(=O)Cc1ccc(OC)c(Oc2ccc(Br)cc2CN[C@@H]2c3ccccc3C[C@@H]2O)c1
InChIKey
RSNRHDLRNAVPMX-WXVAWEFUSA-N
Molecular formula
C27H28BrNO5
Average molar mass
526.4 g/mol
Monoisotopic mass
525.11509

Names & identifiers

Preferred name
(3-{4-Bromo-2-[((1R,2S)-2-hydroxy-indan-1-ylamino)-methyl]-phenoxy}-4-methoxy-phenyl)-acetic acid ethyl ester
IUPAC
ethyl 2-[3-[4-bromo-2-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenoxy]-4-methoxyphenyl]acetate

Names & synonyms

SCHEMBL1644023RSNRHDLRNAVPMX-WXVAWEFUSA-N(3-{4-Bromo-2-[((1R,2S)-2-hydroxy-indan-1-ylamino)-methyl]-phenoxy}-4-methoxy-phenyl)-acetic acid ethyl ester

Database identifiers

PubChem CID
58237487

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
77 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
34

Related reactions

1 records
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Compound notes

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