3-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromen-2-yl]propanenitrile

Systemtic Name: 3-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromen-2-yl]propanenitrile Openeye Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-8-propyl-chroman-2-yl]propanenitrile CAS Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanenitrile IUPAC Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromen-2-yl]propanenitrile Traditional Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-8-propyl-chroman-2-yl]propionitrile Formula: C29H37NO5 MolecularWeight: 479.60778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(CCC(O3)CCC#N)C=C2)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(CCC(O3)CCC#N)C=C2)CCC

InChI

InChI=1S/C29H37NO5/c1-4-8-24-26(16-14-23(20(3)31)28(24)32)33-18-7-19-34-27-15-12-21-11-13-22(10-6-17-30)35-29(21)25(27)9-5-2/h12,14-16,22,32H,4-11,13,18-19H2,1-3H3