N-(1,3-benzodioxol-5-ylmethyl)-2-(4-butoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-butoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-butoxyphenyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-butoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-butoxyphenyl)quinoline-4-carboxamide Traditional Name: 2-(4-butoxyphenyl)-N-piperonyl-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)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

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