[2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: [2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: [2-[[2-(dimethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] (3S)-1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: (3S)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] (3S)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: (3S)-1-keto-3-phenyl-isochroman-6-carboxylic acid [2-[[2-(dimethylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)OC(C2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)O[C@@H](C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O6/c1-24(2)20(26)12-23-19(25)13-29-21(27)15-8-9-17-16(10-15)11-18(30-22(17)28)14-6-4-3-5-7-14/h3-10,18H,11-13H2,1-2H3,(H,23,25)/t18-/m0/s1