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

Systemtic Name: 2-[2,2-dimethyl-5-phenylmethoxy-7-(5-phenylpentan-2-yloxy)-3,4-dihydrochromen-4-yl]ethanenitrile Openeye Name: 2-[5-benzyloxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-4-yl]acetonitrile CAS Name: 2-[2,2-dimethyl-5-phenylmethoxy-7-(5-phenylpentan-2-yloxy)-3,4-dihydro-2H-1-benzopyran-4-yl]acetonitrile IUPAC Name: 2-[2,2-dimethyl-5-phenylmethoxy-7-(5-phenylpentan-2-yloxy)-3,4-dihydrochromen-4-yl]acetonitrile Traditional Name: 2-[5-benzoxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-4-yl]acetonitrile Formula: C31H35NO3 MolecularWeight: 469.6145

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)OC2=CC(=C3C(CC(OC3=C2)(C)C)CC#N)OCC4=CC=CC=C4

Isomeric SMILES

CC(CCCC1=CC=CC=C1)OC2=CC(=C3C(CC(OC3=C2)(C)C)CC#N)OCC4=CC=CC=C4

InChI

InChI=1S/C31H35NO3/c1-23(11-10-16-24-12-6-4-7-13-24)34-27-19-28(33-22-25-14-8-5-9-15-25)30-26(17-18-32)21-31(2,3)35-29(30)20-27/h4-9,12-15,19-20,23,26H,10-11,16-17,21-22H2,1-3H3