6-[(3-ethynylphenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-ethynylphenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(3-ethynylanilino)-6-oxo-hexanoic acid CAS Name: 6-(3-ethynylanilino)-6-oxohexanoic acid IUPAC Name: 6-(3-ethynylanilino)-6-oxohexanoic acid Traditional Name: 6-(3-ethynylanilino)-6-keto-hexanoic acid Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3/c1-2-11-6-5-7-12(10-11)15-13(16)8-3-4-9-14(17)18/h1,5-7,10H,3-4,8-9H2,(H,15,16)(H,17,18)