N-(1,3-benzodioxol-5-yl)-4-[2-(1-oxidanylcyclohexyl)ethynyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[2-(1-oxidanylcyclohexyl)ethynyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[2-(1-hydroxycyclohexyl)ethynyl]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[2-(1-hydroxycyclohexyl)ethynyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[2-(1-hydroxycyclohexyl)ethynyl]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[2-(1-hydroxycyclohexyl)ethynyl]benzamide Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H21NO4/c24-21(23-18-8-9-19-20(14-18)27-15-26-19)17-6-4-16(5-7-17)10-13-22(25)11-2-1-3-12-22/h4-9,14,25H,1-3,11-12,15H2,(H,23,24)