(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(isochroman-1-ylmethyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(isochroman-1-ylmethyl)acrylamide Formula: C20H20BrNO3 MolecularWeight: 402.2817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NCC2C3=CC=CC=C3CCO2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NCC2C3=CC=CC=C3CCO2

InChI

InChI=1S/C20H20BrNO3/c1-24-18-8-7-16(21)12-15(18)6-9-20(23)22-13-19-17-5-3-2-4-14(17)10-11-25-19/h2-9,12,19H,10-11,13H2,1H3,(H,22,23)/b9-6+