2-[2-[[(3-ethynylphenyl)amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[[(3-ethynylphenyl)amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(3-ethynylanilino)methyl]phenoxy]acetic acid CAS Name: 2-[2-[(3-ethynylanilino)methyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(3-ethynylanilino)methyl]phenoxy]acetic acid Traditional Name: 2-[2-[(3-ethynylanilino)methyl]phenoxy]acetic acid Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=CC=CC=C2OCC(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=CC=CC=C2OCC(=O)O

InChI

InChI=1S/C17H15NO3/c1-2-13-6-5-8-15(10-13)18-11-14-7-3-4-9-16(14)21-12-17(19)20/h1,3-10,18H,11-12H2,(H,19,20)