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2-methyl-N-[1-[4-(2-phenylethynyl)phenoxy]dodecyl]butanamide

2-methyl-N-[1-[4-(2-phenylethynyl)phenoxy]dodecyl]butanamide

Systemtic Name:2-methyl-N-[1-[4-(2-phenylethynyl)phenoxy]dodecyl]butanamide
Openeye Name:2-methyl-N-[1-[4-(2-phenylethynyl)phenoxy]dodecyl]butanamide
CAS Name:2-methyl-N-[1-[4-(2-phenylethynyl)phenoxy]dodecyl]butanamide
IUPAC Name:2-methyl-N-[1-[4-(2-phenylethynyl)phenoxy]dodecyl]butanamide
Traditional Name:2-methyl-N-[1-[4-(2-phenylethynyl)phenoxy]dodecyl]butyramide
Formula: C31H43NO2
MolecularWeight: 461.67862
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(NC(=O)C(C)CC)OC1=CC=C(C=C1)C#CC2=CC=CC=C2


Isomeric SMILES

CCCCCCCCCCCC(NC(=O)C(C)CC)OC1=CC=C(C=C1)C#CC2=CC=CC=C2


InChI

InChI=1S/C31H43NO2/c1-4-6-7-8-9-10-11-12-16-19-30(32-31(33)26(3)5-2)34-29-24-22-28(23-25-29)21-20-27-17-14-13-15-18-27/h13-15,17-18,22-26,30H,4-12,16,19H2,1-3H3,(H,32,33)


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