2-(3-acetamido-4-pent-1-ynyl-phenyl)ethanoic acid

Systemtic Name: 2-(3-acetamido-4-pent-1-ynyl-phenyl)ethanoic acid Openeye Name: 2-(3-acetamido-4-pent-1-ynyl-phenyl)acetic acid CAS Name: 2-(3-acetamido-4-pent-1-ynylphenyl)acetic acid IUPAC Name: 2-(3-acetamido-4-pent-1-ynylphenyl)acetic acid Traditional Name: 2-(3-acetamido-4-pent-1-ynyl-phenyl)acetic acid Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3/c1-3-4-5-6-13-8-7-12(10-15(18)19)9-14(13)16-11(2)17/h7-9H,3-4,10H2,1-2H3,(H,16,17)(H,18,19)