N-(2,2-dimethyl-3-oxidanyl-6-propanoyl-3,4-dihydrochromen-4-yl)-4-fluoranyl-benzamide

Systemtic Name: N-(2,2-dimethyl-3-oxidanyl-6-propanoyl-3,4-dihydrochromen-4-yl)-4-fluoranyl-benzamide Openeye Name: 4-fluoro-N-(3-hydroxy-2,2-dimethyl-6-propanoyl-chroman-4-yl)benzamide CAS Name: 4-fluoro-N-[3-hydroxy-2,2-dimethyl-6-(1-oxopropyl)-3,4-dihydro-2H-1-benzopyran-4-yl]benzamide IUPAC Name: 4-fluoro-N-(3-hydroxy-2,2-dimethyl-6-propanoyl-3,4-dihydrochromen-4-yl)benzamide Traditional Name: 4-fluoro-N-(3-hydroxy-2,2-dimethyl-6-propionyl-chroman-4-yl)benzamide Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(C2NC(=O)C3=CC=C(C=C3)F)O)(C)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)OC(C(C2NC(=O)C3=CC=C(C=C3)F)O)(C)C

InChI

InChI=1S/C21H22FNO4/c1-4-16(24)13-7-10-17-15(11-13)18(19(25)21(2,3)27-17)23-20(26)12-5-8-14(22)9-6-12/h5-11,18-19,25H,4H2,1-3H3,(H,23,26)