4-[[(3-ethynylphenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(3-ethynylphenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(3-ethynylbenzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[(3-ethynylphenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3-ethynylbenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(3-ethynylbenzoyl)amino]methyl]benzoic acid Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

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