(Z)-3-(5,5,8,8-tetramethyl-3-phenylmethoxy-6,7-dihydronaphthalen-2-yl)but-2-enenitrile

Systemtic Name: (Z)-3-(5,5,8,8-tetramethyl-3-phenylmethoxy-6,7-dihydronaphthalen-2-yl)but-2-enenitrile Openeye Name: (Z)-3-(7-benzyloxy-1,1,4,4-tetramethyl-tetralin-6-yl)but-2-enenitrile CAS Name: (Z)-3-(5,5,8,8-tetramethyl-3-phenylmethoxy-6,7-dihydronaphthalen-2-yl)-2-butenenitrile IUPAC Name: (Z)-3-(5,5,8,8-tetramethyl-3-phenylmethoxy-6,7-dihydronaphthalen-2-yl)but-2-enenitrile Traditional Name: (Z)-3-(7-benzoxy-1,1,4,4-tetramethyl-tetralin-6-yl)but-2-enenitrile Formula: C25H29NO MolecularWeight: 359.50386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#N)C1=CC2=C(C=C1OCC3=CC=CC=C3)C(CCC2(C)C)(C)C

Isomeric SMILES

C/C(=C/C#N)/C1=CC2=C(C=C1OCC3=CC=CC=C3)C(CCC2(C)C)(C)C

InChI

InChI=1S/C25H29NO/c1-18(11-14-26)20-15-21-22(25(4,5)13-12-24(21,2)3)16-23(20)27-17-19-9-7-6-8-10-19/h6-11,15-16H,12-13,17H2,1-5H3/b18-11-