N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanylidene-pentan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanylidene-pentan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]butyl]-2-fluoro-benzamide CAS Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopentan-2-yl]-2-fluorobenzamide IUPAC Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopentan-2-yl]-2-fluorobenzamide Traditional Name: 2-fluoro-N-[1-(homoveratrylcarbamoyl)butyl]benzamide Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CCCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C22H27FN2O4/c1-4-7-18(25-21(26)16-8-5-6-9-17(16)23)22(27)24-13-12-15-10-11-19(28-2)20(14-15)29-3/h5-6,8-11,14,18H,4,7,12-13H2,1-3H3,(H,24,27)(H,25,26)