[4-[[(3-ethynylphenyl)amino]methyl]-2-methoxy-phenyl] ethanoate

Systemtic Name: [4-[[(3-ethynylphenyl)amino]methyl]-2-methoxy-phenyl] ethanoate Openeye Name: [4-[(3-ethynylanilino)methyl]-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-[(3-ethynylanilino)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(3-ethynylanilino)methyl]-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-[(3-ethynylanilino)methyl]-2-methoxy-phenyl] ester Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CNC2=CC=CC(=C2)C#C)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CNC2=CC=CC(=C2)C#C)OC

InChI

InChI=1S/C18H17NO3/c1-4-14-6-5-7-16(10-14)19-12-15-8-9-17(22-13(2)20)18(11-15)21-3/h1,5-11,19H,12H2,2-3H3