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

Systemtic Name: methyl 3-[2-[3-(2-methylpropanoylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(2-methylpropanoylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(2-methyl-1-oxopropyl)amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(2-methylpropanoylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(isobutyrylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO3/c1-14(2)19(22)21-18-9-5-7-16(13-18)11-10-15-6-4-8-17(12-15)20(23)24-3/h4-9,12-14H,1-3H3,(H,21,22)