methyl 4-acetamido-3-pent-1-ynyl-benzoate

Systemtic Name: methyl 4-acetamido-3-pent-1-ynyl-benzoate Openeye Name: methyl 4-acetamido-3-pent-1-ynyl-benzoate CAS Name: 4-acetamido-3-pent-1-ynylbenzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-pent-1-ynylbenzoate Traditional Name: 4-acetamido-3-pent-1-ynyl-benzoic acid methyl ester Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3/c1-4-5-6-7-12-10-13(15(18)19-3)8-9-14(12)16-11(2)17/h8-10H,4-5H2,1-3H3,(H,16,17)