2-[3-[4-[1,5-bis(oxidanyl)-4-oxidanylidene-3-phenethyl-pentyl]phenyl]phenyl]ethanenitrile

Systemtic Name: 2-[3-[4-[1,5-bis(oxidanyl)-4-oxidanylidene-3-phenethyl-pentyl]phenyl]phenyl]ethanenitrile Openeye Name: 2-[3-[4-(1,5-dihydroxy-4-oxo-3-phenethyl-pentyl)phenyl]phenyl]acetonitrile CAS Name: 2-[3-[4-(1,5-dihydroxy-4-oxo-3-phenethylpentyl)phenyl]phenyl]acetonitrile IUPAC Name: 2-[3-[4-(1,5-dihydroxy-4-oxo-3-phenethylpentyl)phenyl]phenyl]acetonitrile Traditional Name: 2-[3-[4-(1,5-dihydroxy-4-keto-3-phenethyl-pentyl)phenyl]phenyl]acetonitrile Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CC(C2=CC=C(C=C2)C3=CC(=CC=C3)CC#N)O)C(=O)CO

Isomeric SMILES

C1=CC=C(C=C1)CCC(CC(C2=CC=C(C=C2)C3=CC(=CC=C3)CC#N)O)C(=O)CO

InChI

InChI=1S/C27H27NO3/c28-16-15-21-7-4-8-24(17-21)22-11-13-23(14-12-22)26(30)18-25(27(31)19-29)10-9-20-5-2-1-3-6-20/h1-8,11-14,17,25-26,29-30H,9-10,15,18-19H2