2-(4-butoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide

Systemtic Name: 2-(4-butoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Openeye Name: 2-(4-butoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide CAS Name: 2-(4-butoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-butoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Traditional Name: 2-(4-butoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cinchoninamide Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C28H26N2O4/c1-2-3-14-32-21-11-8-19(9-12-21)25-18-23(22-6-4-5-7-24(22)30-25)28(31)29-20-10-13-26-27(17-20)34-16-15-33-26/h4-13,17-18H,2-3,14-16H2,1H3,(H,29,31)