2-[(phenylmethyl)-prop-2-ynyl-amino]benzoic acid

Systemtic Name: 2-[(phenylmethyl)-prop-2-ynyl-amino]benzoic acid Openeye Name: 2-[benzyl(prop-2-ynyl)amino]benzoic acid CAS Name: 2-[(phenylmethyl)-prop-2-ynylamino]benzoic acid IUPAC Name: 2-[benzyl(prop-2-ynyl)amino]benzoic acid Traditional Name: 2-[benzyl(propargyl)amino]benzoic acid Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C#CCN(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H15NO2/c1-2-12-18(13-14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(19)20/h1,3-11H,12-13H2,(H,19,20)