[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-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 [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] (3S)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: (3S)-1-keto-3-phenyl-isochroman-6-carboxylic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)OC(=O)C1=CC2=C(C=C1)C(=O)OC(C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)OC(=O)C1=CC2=C(C=C1)C(=O)O[C@@H](C2)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5/c1-15(21(26)25(2)12-6-11-24)29-22(27)17-9-10-19-18(13-17)14-20(30-23(19)28)16-7-4-3-5-8-16/h3-5,7-10,13,15,20H,6,12,14H2,1-2H3/t15-,20+/m1/s1