4-[4-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrochromen-4-yl]phenoxy]butanenitrile

Systemtic Name: 4-[4-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrochromen-4-yl]phenoxy]butanenitrile Openeye Name: 4-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-chroman-4-yl]phenoxy]butanenitrile CAS Name: 4-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]phenoxy]butanenitrile IUPAC Name: 4-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-4-yl]phenoxy]butanenitrile Traditional Name: 4-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-chroman-4-yl]phenoxy]butyronitrile Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C1C3=CC=C(C=C3)OCCCC#N)C=CC(=C2)O)C4=CC=C(C=C4)O

Isomeric SMILES

CC1(COC2=C(C1C3=CC=C(C=C3)OCCCC#N)C=CC(=C2)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C26H25NO4/c1-26(19-6-8-20(28)9-7-19)17-31-24-16-21(29)10-13-23(24)25(26)18-4-11-22(12-5-18)30-15-3-2-14-27/h4-13,16,25,28-29H,2-3,15,17H2,1H3