methyl 3-[2-[3-(oxolan-2-ylcarbonylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(oxolan-2-ylcarbonylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(tetrahydrofuran-2-carbonylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo(2-oxolanyl)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(oxolane-2-carbonylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(tetrahydrofuran-2-carbonylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CCCO3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CCCO3

InChI

InChI=1S/C21H19NO4/c1-25-21(24)17-7-2-5-15(13-17)10-11-16-6-3-8-18(14-16)22-20(23)19-9-4-12-26-19/h2-3,5-8,13-14,19H,4,9,12H2,1H3,(H,22,23)