4-[4-[(2R,4R)-4-(4-ethoxyphenyl)-6-oxidanylidene-oxan-2-yl]but-1-ynyl]benzenecarbonitrile

Systemtic Name: 4-[4-[(2R,4R)-4-(4-ethoxyphenyl)-6-oxidanylidene-oxan-2-yl]but-1-ynyl]benzenecarbonitrile Openeye Name: 4-[4-[(2R,4R)-4-(4-ethoxyphenyl)-6-oxo-tetrahydropyran-2-yl]but-1-ynyl]benzonitrile CAS Name: 4-[4-[(2R,4R)-4-(4-ethoxyphenyl)-6-oxo-2-oxanyl]but-1-ynyl]benzonitrile IUPAC Name: 4-[4-[(2R,4R)-4-(4-ethoxyphenyl)-6-oxooxan-2-yl]but-1-ynyl]benzonitrile Traditional Name: 4-[4-[(2R,4R)-6-keto-4-p-phenetyl-tetrahydropyran-2-yl]but-1-ynyl]benzonitrile Formula: C24H23NO3 MolecularWeight: 373.44432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC(OC(=O)C2)CCC#CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C[C@H](OC(=O)C2)CCC#CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H23NO3/c1-2-27-22-13-11-20(12-14-22)21-15-23(28-24(26)16-21)6-4-3-5-18-7-9-19(17-25)10-8-18/h7-14,21,23H,2,4,6,15-16H2,1H3/t21-,23-/m1/s1