methyl 3-[2-[3-(3,3-dimethylbutanoylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(3,3-dimethylbutanoylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(3,3-dimethylbutanoylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(3,3-dimethylbutanoylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(3,3-dimethylbutanoylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=CC(=C1)C#CC2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=CC(=C1)C#CC2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C22H23NO3/c1-22(2,3)15-20(24)23-19-10-6-8-17(14-19)12-11-16-7-5-9-18(13-16)21(25)26-4/h5-10,13-14H,15H2,1-4H3,(H,23,24)