2,2-dimethyl-3-oxidanyl-4-[2-oxidanylidene-4-(1-phenylmethoxyethyl)pyridin-1-yl]-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-3-oxidanyl-4-[2-oxidanylidene-4-(1-phenylmethoxyethyl)pyridin-1-yl]-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[4-(1-benzyloxyethyl)-2-oxo-1-pyridyl]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-[2-oxo-4-(1-phenylmethoxyethyl)-1-pyridinyl]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-4-[2-oxo-4-(1-phenylmethoxyethyl)pyridin-1-yl]-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[4-(1-benzoxyethyl)-2-keto-1-pyridyl]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=O)N(C=C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC(=O)N(C=C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O4/c1-17(31-16-18-7-5-4-6-8-18)20-11-12-28(23(29)14-20)24-21-13-19(15-27)9-10-22(21)32-26(2,3)25(24)30/h4-14,17,24-25,30H,16H2,1-3H3