[(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: [(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: [(1S)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl] (3R)-1-oxoisochromane-3-carboxylate CAS Name: (3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] (3R)-1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: (3R)-1-ketoisochroman-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

C[C@@H](C(=O)N(C)C1=CC=CC=C1)OC(=O)[C@H]2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C20H19NO5/c1-13(18(22)21(2)15-9-4-3-5-10-15)25-20(24)17-12-14-8-6-7-11-16(14)19(23)26-17/h3-11,13,17H,12H2,1-2H3/t13-,17+/m0/s1