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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C#CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C17H13NO3/c1-12-7-9-14(17(20)21)11-15(12)18-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11H,1H3,(H,18,19)(H,20,21)