(E)-3-[3-bromanyl-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-bromanyl-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-[3-bromo-5-methoxy-4-(1-naphthylmethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[3-bromo-5-methoxy-4-(1-naphthalenylmethoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-[3-bromo-5-methoxy-4-(1-naphthylmethoxy)phenyl]acrylonitrile Formula: C28H20BrNO3 MolecularWeight: 498.3673

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)Br)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2)Br)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H20BrNO3/c1-32-26-16-19(14-23(17-30)27(31)21-9-3-2-4-10-21)15-25(29)28(26)33-18-22-12-7-11-20-8-5-6-13-24(20)22/h2-16H,18H2,1H3/b23-14+