2-[2,2-dimethyl-4-oxidanyl-5-phenylmethoxy-7-(5-phenylpentan-2-yloxy)-3H-chromen-4-yl]ethanenitrile

Systemtic Name: 2-[2,2-dimethyl-4-oxidanyl-5-phenylmethoxy-7-(5-phenylpentan-2-yloxy)-3H-chromen-4-yl]ethanenitrile Openeye Name: 2-[5-benzyloxy-4-hydroxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-4-yl]acetonitrile CAS Name: 2-[4-hydroxy-2,2-dimethyl-5-phenylmethoxy-7-(5-phenylpentan-2-yloxy)-3,4-dihydro-2H-1-benzopyran-4-yl]acetonitrile IUPAC Name: 2-[4-hydroxy-2,2-dimethyl-5-phenylmethoxy-7-(5-phenylpentan-2-yloxy)-3H-chromen-4-yl]acetonitrile Traditional Name: 2-[5-benzoxy-4-hydroxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-4-yl]acetonitrile Formula: C31H35NO4 MolecularWeight: 485.6139

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)OC2=CC(=C3C(=C2)OC(CC3(CC#N)O)(C)C)OCC4=CC=CC=C4

Isomeric SMILES

CC(CCCC1=CC=CC=C1)OC2=CC(=C3C(=C2)OC(CC3(CC#N)O)(C)C)OCC4=CC=CC=C4

InChI

InChI=1S/C31H35NO4/c1-23(11-10-16-24-12-6-4-7-13-24)35-26-19-27(34-21-25-14-8-5-9-15-25)29-28(20-26)36-30(2,3)22-31(29,33)17-18-32/h4-9,12-15,19-20,23,33H,10-11,16-17,21-22H2,1-3H3