3-[(3-ethynylphenyl)carbamoyl]benzoic acid

Systemtic Name: 3-[(3-ethynylphenyl)carbamoyl]benzoic acid Openeye Name: 3-[(3-ethynylphenyl)carbamoyl]benzoic acid CAS Name: 3-[(3-ethynylanilino)-oxomethyl]benzoic acid IUPAC Name: 3-[(3-ethynylphenyl)carbamoyl]benzoic acid Traditional Name: 3-[(3-ethynylphenyl)carbamoyl]benzoic acid Formula: C16H11NO3 MolecularWeight: 265.26344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO3/c1-2-11-5-3-8-14(9-11)17-15(18)12-6-4-7-13(10-12)16(19)20/h1,3-10H,(H,17,18)(H,19,20)