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

Systemtic Name: 4-[2,2-dimethyl-5-oxidanyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydrochromen-3-yl]butanenitrile Openeye Name: 4-[5-hydroxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-3-yl]butanenitrile CAS Name: 4-[5-hydroxy-2,2-dimethyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydro-2H-1-benzopyran-3-yl]butanenitrile IUPAC Name: 4-[5-hydroxy-2,2-dimethyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydrochromen-3-yl]butanenitrile Traditional Name: 4-[5-hydroxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-3-yl]butyronitrile Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO3/c1-19(10-9-13-20-11-5-4-6-12-20)29-22-17-24(28)23-16-21(14-7-8-15-27)26(2,3)30-25(23)18-22/h4-6,11-12,17-19,21,28H,7-10,13-14,16H2,1-3H3