[4-(2-phenylethynyl)phenyl] 4-(2-methylbutanoylamino)benzoate

Systemtic Name: [4-(2-phenylethynyl)phenyl] 4-(2-methylbutanoylamino)benzoate Openeye Name: [4-(2-phenylethynyl)phenyl] 4-(2-methylbutanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxobutyl)amino]benzoic acid [4-(2-phenylethynyl)phenyl] ester IUPAC Name: [4-(2-phenylethynyl)phenyl] 4-(2-methylbutanoylamino)benzoate Traditional Name: 4-(2-methylbutanoylamino)benzoic acid [4-(2-phenylethynyl)phenyl] ester Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C26H23NO3/c1-3-19(2)25(28)27-23-15-13-22(14-16-23)26(29)30-24-17-11-21(12-18-24)10-9-20-7-5-4-6-8-20/h4-8,11-19H,3H2,1-2H3,(H,27,28)