4-[(3-phenylprop-2-ynylamino)methyl]benzoate

Systemtic Name: 4-[(3-phenylprop-2-ynylamino)methyl]benzoate Openeye Name: 4-[(3-phenylprop-2-ynylamino)methyl]benzoate CAS Name: 4-[(3-phenylprop-2-ynylamino)methyl]benzoate IUPAC Name: 4-[(3-phenylprop-2-ynylamino)methyl]benzoate Traditional Name: 4-[(3-phenylprop-2-ynylamino)methyl]benzoate Formula: C17H14NO2- MolecularWeight: 264.29856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCNCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CCNCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H15NO2/c19-17(20)16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,18H,12-13H2,(H,19,20)/p-1