[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (3R)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (3R)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] (3R)-1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: (3R)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] (3R)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: (3R)-1-keto-3-phenyl-isochroman-6-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)OC(C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)O[C@H](C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO5/c1-4-23(2,3)24-20(25)14-28-21(26)16-10-11-18-17(12-16)13-19(29-22(18)27)15-8-6-5-7-9-15/h5-12,19H,4,13-14H2,1-3H3,(H,24,25)/t19-/m1/s1