3-[2,2-dimethyl-5-oxidanyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydrochromen-3-yl]propanenitrile

Systemtic Name: 3-[2,2-dimethyl-5-oxidanyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydrochromen-3-yl]propanenitrile Openeye Name: 3-[5-hydroxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-3-yl]propanenitrile CAS Name: 3-[5-hydroxy-2,2-dimethyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydro-2H-1-benzopyran-3-yl]propanenitrile IUPAC Name: 3-[5-hydroxy-2,2-dimethyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydrochromen-3-yl]propanenitrile Traditional Name: 3-[5-hydroxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-3-yl]propionitrile Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)OC2=CC(=C3CC(C(OC3=C2)(C)C)CCC#N)O

Isomeric SMILES

CC(CCCC1=CC=CC=C1)OC2=CC(=C3CC(C(OC3=C2)(C)C)CCC#N)O

InChI

InChI=1S/C25H31NO3/c1-18(9-7-12-19-10-5-4-6-11-19)28-21-16-23(27)22-15-20(13-8-14-26)25(2,3)29-24(22)17-21/h4-6,10-11,16-18,20,27H,7-9,12-13,15H2,1-3H3