methyl 3-[2-[3-(2-methylbutanoylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(2-methylbutanoylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(2-methylbutanoylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(2-methyl-1-oxobutyl)amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(2-methylbutanoylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(2-methylbutanoylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-4-15(2)20(23)22-19-10-6-8-17(14-19)12-11-16-7-5-9-18(13-16)21(24)25-3/h5-10,13-15H,4H2,1-3H3,(H,22,23)