[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (3S)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (3S)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] (3S)-3-methyl-1-oxo-isochromane-3-carboxylate CAS Name: (3S)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] (3S)-3-methyl-1-oxo-4H-isochromene-3-carboxylate Traditional Name: (3S)-1-keto-3-methyl-isochroman-3-carboxylic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H20O7 MolecularWeight: 384.3793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H20O7/c1-21(11-13-6-4-5-7-15(13)19(23)28-21)20(24)27-12-17(22)16-9-8-14(25-2)10-18(16)26-3/h4-10H,11-12H2,1-3H3/t21-/m0/s1