Chemical Compound

SCHEMBL29806080

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SCHEMBL29806080 chemical structure
Primary Record

SCHEMBL29806080

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
171918543
SMILES
C[C@@H]1CCCC2=NC=CC(=C12)OC[C@H](C)C[C@H]3CC4=CC5=C(C=C4C36CCC(CC6)(C(=O)O)NC7=CC(=CC=C7)Cl)OCCCO5
Canonical SMILES
C[C@@H](COc1ccnc2c1[C@H](C)CCC2)C[C@H]1Cc2cc3c(cc2C12CCC(Nc1cccc(Cl)c1)(C(=O)O)CC2)OCCCO3

Names & Synonyms

  • SCHEMBL29806080
  • BDBM673652
  • US20240150293, Example 837
  • Example 837A (2E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid