ethyl 6-bromanyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoline-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoline-3-carboxylate Openeye Name: ethyl 6-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoline-3-carboxylate CAS Name: 6-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoline-3-carboxylate Traditional Name: 6-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoline-3-carboxylic acid ethyl ester Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC4=C(C=C3)OCCO4)Br

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC4=C(C=C3)OCCO4)Br

InChI

InChI=1S/C20H17BrN2O4/c1-2-25-20(24)15-11-22-16-5-3-12(21)9-14(16)19(15)23-13-4-6-17-18(10-13)27-8-7-26-17/h3-6,9-11H,2,7-8H2,1H3,(H,22,23)