(2S)-2-bromanyl-N-[7-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide

Systemtic Name: (2S)-2-bromanyl-N-[7-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide Openeye Name: (2S)-2-bromo-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide CAS Name: (2S)-2-bromo-N-[7-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide IUPAC Name: (2S)-2-bromo-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide Traditional Name: (2S)-2-bromo-N-(7-p-toluoyl-2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C19H18BrNO4 MolecularWeight: 404.25452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2NC(=O)C(C)Br)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2NC(=O)[C@H](C)Br)OCCO3

InChI

InChI=1S/C19H18BrNO4/c1-11-3-5-13(6-4-11)18(22)14-9-16-17(25-8-7-24-16)10-15(14)21-19(23)12(2)20/h3-6,9-10,12H,7-8H2,1-2H3,(H,21,23)/t12-/m0/s1