3-[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-naphthalen-2-yl-prop-2-enenitrile

Systemtic Name: 3-[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-naphthalen-2-yl-prop-2-enenitrile Openeye Name: 3-[3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]-2-(2-naphthyl)prop-2-enenitrile CAS Name: 3-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-(2-naphthalenyl)-2-propenenitrile IUPAC Name: 3-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-naphthalen-2-ylprop-2-enenitrile Traditional Name: 3-[3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-phenyl]-2-(2-naphthyl)acrylonitrile Formula: C29H24BrNO2 MolecularWeight: 498.41036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC3=CC=CC=C3C=C2)Br)OCC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC3=CC=CC=C3C=C2)Br)OCC4=CC=C(C=C4)C

InChI

InChI=1S/C29H24BrNO2/c1-3-32-28-16-22(15-27(30)29(28)33-19-21-10-8-20(2)9-11-21)14-26(18-31)25-13-12-23-6-4-5-7-24(23)17-25/h4-17H,3,19H2,1-2H3