4-[(3-phenylprop-2-ynoylamino)methyl]benzoic acid

Systemtic Name: 4-[(3-phenylprop-2-ynoylamino)methyl]benzoic acid Openeye Name: 4-[(3-phenylprop-2-ynoylamino)methyl]benzoic acid CAS Name: 4-[[(1-oxo-3-phenylprop-2-ynyl)amino]methyl]benzoic acid IUPAC Name: 4-[(3-phenylprop-2-ynoylamino)methyl]benzoic acid Traditional Name: 4-[[(3-phenylpropioloyl)amino]methyl]benzoic acid Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H13NO3/c19-16(11-8-13-4-2-1-3-5-13)18-12-14-6-9-15(10-7-14)17(20)21/h1-7,9-10H,12H2,(H,18,19)(H,20,21)