5-[(3-ethynylphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-ethynylphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-ethynylanilino)-5-oxo-pentanoic acid CAS Name: 5-(3-ethynylanilino)-5-oxopentanoic acid IUPAC Name: 5-(3-ethynylanilino)-5-oxopentanoic acid Traditional Name: 5-(3-ethynylanilino)-5-keto-valeric acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3/c1-2-10-5-3-6-11(9-10)14-12(15)7-4-8-13(16)17/h1,3,5-6,9H,4,7-8H2,(H,14,15)(H,16,17)