2-[[3-(4-methoxyoxan-4-yl)-5-(3-phenylprop-2-ynoxy)phenyl]amino]ethanoic acid

Systemtic Name: 2-[[3-(4-methoxyoxan-4-yl)-5-(3-phenylprop-2-ynoxy)phenyl]amino]ethanoic acid Openeye Name: 2-[3-(4-methoxytetrahydropyran-4-yl)-5-(3-phenylprop-2-ynoxy)anilino]acetic acid CAS Name: 2-[3-(4-methoxy-4-oxanyl)-5-(3-phenylprop-2-ynoxy)anilino]acetic acid IUPAC Name: 2-[3-(4-methoxyoxan-4-yl)-5-(3-phenylprop-2-ynoxy)anilino]acetic acid Traditional Name: 2-[3-(4-methoxytetrahydropyran-4-yl)-5-(3-phenylprop-2-ynoxy)anilino]acetic acid Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCOCC1)C2=CC(=CC(=C2)OCC#CC3=CC=CC=C3)NCC(=O)O

Isomeric SMILES

COC1(CCOCC1)C2=CC(=CC(=C2)OCC#CC3=CC=CC=C3)NCC(=O)O

InChI

InChI=1S/C23H25NO5/c1-27-23(9-12-28-13-10-23)19-14-20(24-17-22(25)26)16-21(15-19)29-11-5-8-18-6-3-2-4-7-18/h2-4,6-7,14-16,24H,9-13,17H2,1H3,(H,25,26)