(3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidene-4-phenylmethoxy-pyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidene-4-phenylmethoxy-pyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-4-(4-benzyloxy-2-oxo-1-pyridyl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxo-4-phenylmethoxypyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-4-(4-benzoxy-2-keto-1-pyridyl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC(=CC3=O)OCC4=CC=CC=C4)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3C=CC(=CC3=O)OCC4=CC=CC=C4)O)C

InChI

InChI=1S/C24H22N2O4/c1-24(2)23(28)22(19-12-17(14-25)8-9-20(19)30-24)26-11-10-18(13-21(26)27)29-15-16-6-4-3-5-7-16/h3-13,22-23,28H,15H2,1-2H3/t22-,23+/m1/s1