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

Systemtic Name: 4-[4-[1,4-bis(oxidanyl)butyl]-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[4-(1,4-dihydroxybutyl)-2-oxo-1-pyridyl]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[4-(1,4-dihydroxybutyl)-2-oxo-1-pyridinyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[4-(1,4-dihydroxybutyl)-2-oxopyridin-1-yl]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[4-(1,4-dihydroxybutyl)-2-keto-1-pyridyl]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C21H24N2O5 MolecularWeight: 384.42566

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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)C(CCCO)O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-21(2)20(27)19(15-10-13(12-22)5-6-17(15)28-21)23-8-7-14(11-18(23)26)16(25)4-3-9-24/h5-8,10-11,16,19-20,24-25,27H,3-4,9H2,1-2H3