3-[[ethynyl(phenylcarbonyl)amino]methyl]benzoic acid

Systemtic Name: 3-[[ethynyl(phenylcarbonyl)amino]methyl]benzoic acid Openeye Name: 3-[[benzoyl(ethynyl)amino]methyl]benzoic acid CAS Name: 3-[[benzoyl(ethynyl)amino]methyl]benzoic acid IUPAC Name: 3-[[benzoyl(ethynyl)amino]methyl]benzoic acid Traditional Name: 3-[[benzoyl(ethynyl)amino]methyl]benzoic acid Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

C#CN(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

C#CN(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H13NO3/c1-2-18(16(19)14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)17(20)21/h1,3-11H,12H2,(H,20,21)