N-[(Z)-1-[4-(2-bromanylphenoxy)phenyl]-3-oxidanylidene-but-1-en-2-yl]pentanamide

Systemtic Name: N-[(Z)-1-[4-(2-bromanylphenoxy)phenyl]-3-oxidanylidene-but-1-en-2-yl]pentanamide Openeye Name: N-[(1Z)-1-[[4-(2-bromophenoxy)phenyl]methylene]-2-oxo-propyl]pentanamide CAS Name: N-[(Z)-1-[4-(2-bromophenoxy)phenyl]-3-oxobut-1-en-2-yl]pentanamide IUPAC Name: N-[(Z)-1-[4-(2-bromophenoxy)phenyl]-3-oxobut-1-en-2-yl]pentanamide Traditional Name: N-[(Z)-1-acetyl-2-[4-(2-bromophenoxy)phenyl]vinyl]valeramide Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=CC1=CC=C(C=C1)OC2=CC=CC=C2Br)C(=O)C

Isomeric SMILES

CCCCC(=O)N/C(=C\C1=CC=C(C=C1)OC2=CC=CC=C2Br)/C(=O)C

InChI

InChI=1S/C21H22BrNO3/c1-3-4-9-21(25)23-19(15(2)24)14-16-10-12-17(13-11-16)26-20-8-6-5-7-18(20)22/h5-8,10-14H,3-4,9H2,1-2H3,(H,23,25)/b19-14-