(phenylmethyl) 3-ethynyl-4-(methylamino)benzoate

Systemtic Name: (phenylmethyl) 3-ethynyl-4-(methylamino)benzoate Openeye Name: benzyl 3-ethynyl-4-(methylamino)benzoate CAS Name: 3-ethynyl-4-(methylamino)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-ethynyl-4-(methylamino)benzoate Traditional Name: 3-ethynyl-4-(methylamino)benzoic acid benzyl ester Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)C#C

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)C#C

InChI

InChI=1S/C17H15NO2/c1-3-14-11-15(9-10-16(14)18-2)17(19)20-12-13-7-5-4-6-8-13/h1,4-11,18H,12H2,2H3