(4S)-3,3-dimethyl-4-(5-prop-1-en-2-ylimidazol-1-yl)-4H-isochromen-1-one

Systemtic Name: (4S)-3,3-dimethyl-4-(5-prop-1-en-2-ylimidazol-1-yl)-4H-isochromen-1-one Openeye Name: (4S)-4-(5-isopropenylimidazol-1-yl)-3,3-dimethyl-isochroman-1-one CAS Name: (4S)-3,3-dimethyl-4-[5-(1-methylethenyl)-1-imidazolyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (4S)-3,3-dimethyl-4-(5-prop-1-en-2-ylimidazol-1-yl)-4H-isochromen-1-one Traditional Name: (4S)-4-(5-isopropenylimidazol-1-yl)-3,3-dimethyl-isochroman-1-one Formula: C17H18N2O2 MolecularWeight: 282.33702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CN=CN1C2C3=CC=CC=C3C(=O)OC2(C)C

Isomeric SMILES

CC(=C)C1=CN=CN1[C@H]2C3=CC=CC=C3C(=O)OC2(C)C

InChI

InChI=1S/C17H18N2O2/c1-11(2)14-9-18-10-19(14)15-12-7-5-6-8-13(12)16(20)21-17(15,3)4/h5-10,15H,1H2,2-4H3/t15-/m0/s1