3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 3-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-N-(tetrahydrofurfuryl)benzamide Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=CC=CC(=C2)C(=O)NCC3CCCO3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=CC=CC(=C2)C(=O)NCC3CCCO3)C)Br

InChI

InChI=1S/C22H25BrN2O4/c1-14-9-17(23)10-15(2)21(14)29-13-20(26)25-18-6-3-5-16(11-18)22(27)24-12-19-7-4-8-28-19/h3,5-6,9-11,19H,4,7-8,12-13H2,1-2H3,(H,24,27)(H,25,26)