4-[3-but-3-ynyl-4-(4-ethoxyphenyl)-2-oxidanylidene-oxan-4-yl]benzenecarbonitrile

Systemtic Name: 4-[3-but-3-ynyl-4-(4-ethoxyphenyl)-2-oxidanylidene-oxan-4-yl]benzenecarbonitrile Openeye Name: 4-[3-but-3-ynyl-4-(4-ethoxyphenyl)-2-oxo-tetrahydropyran-4-yl]benzonitrile CAS Name: 4-[3-but-3-ynyl-4-(4-ethoxyphenyl)-2-oxo-4-oxanyl]benzonitrile IUPAC Name: 4-[3-but-3-ynyl-4-(4-ethoxyphenyl)-2-oxooxan-4-yl]benzonitrile Traditional Name: 4-(3-but-3-ynyl-2-keto-4-p-phenetyl-tetrahydropyran-4-yl)benzonitrile Formula: C24H23NO3 MolecularWeight: 373.44432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2(CCOC(=O)C2CCC#C)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2(CCOC(=O)C2CCC#C)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H23NO3/c1-3-5-6-22-23(26)28-16-15-24(22,19-9-7-18(17-25)8-10-19)20-11-13-21(14-12-20)27-4-2/h1,7-14,22H,4-6,15-16H2,2H3