methyl 4-[[(3-ethynylphenyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-ethynylphenyl)amino]methyl]benzoate Openeye Name: methyl 4-[(3-ethynylanilino)methyl]benzoate CAS Name: 4-[(3-ethynylanilino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-ethynylanilino)methyl]benzoate Traditional Name: 4-[(3-ethynylanilino)methyl]benzoic acid methyl ester Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=CC=CC(=C2)C#C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=CC=CC(=C2)C#C

InChI

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