(E)-3-[2-(3-methoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-oxidanyl-prop-2-enamide

Systemtic Name: (E)-3-[2-(3-methoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-oxidanyl-prop-2-enamide Openeye Name: (E)-3-[2-(3-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enehydroxamic acid CAS Name: (E)-N-hydroxy-3-[2-[(3-methoxyphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-propenamide IUPAC Name: (E)-N-hydroxy-3-[2-(3-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide Traditional Name: (E)-3-(2-m-anisoyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enehydroxamic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)C=CC(=O)NO

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)/C=C/C(=O)NO

InChI

InChI=1S/C20H20N2O4/c1-26-18-4-2-3-16(12-18)20(24)22-10-9-15-7-5-14(11-17(15)13-22)6-8-19(23)21-25/h2-8,11-12,25H,9-10,13H2,1H3,(H,21,23)/b8-6+