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

Systemtic Name: methyl 3-[2-[3-(2,2-dimethylpropanoylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(2,2-dimethylpropanoylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(2,2-dimethylpropanoylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(pivaloylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-21(2,3)20(24)22-18-10-6-8-16(14-18)12-11-15-7-5-9-17(13-15)19(23)25-4/h5-10,13-14H,1-4H3,(H,22,24)