(E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-N-(4-butylphenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-N-(4-butylphenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-N-(4-butylphenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-N-(4-butylphenyl)-2-cyano-2-propenamide IUPAC Name: (E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-N-(4-butylphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-[3-(4-bromobenzyl)oxyphenyl]-N-(4-butylphenyl)-2-cyano-acrylamide Formula: C27H25BrN2O2 MolecularWeight: 489.4036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=CC=C2)OCC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CC=C2)OCC3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C27H25BrN2O2/c1-2-3-5-20-10-14-25(15-11-20)30-27(31)23(18-29)16-22-6-4-7-26(17-22)32-19-21-8-12-24(28)13-9-21/h4,6-17H,2-3,5,19H2,1H3,(H,30,31)/b23-16+